SCHEMBL53117

SCHEMBL53117

C(=NCCN1CCOCC1)=NC1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 1.00
EPHX1 P07099 2/20 0.42
HIF1A Q16665 1/20 0.42
CYP2C9 P11712 1/20 0.39
GAA P10253 1/20 0.36
ALDH1A1 P00352 5/20 0.35
CTSK P43235 1/20 0.34
KDM4E B2RXH2 2/20 0.34
TSHR P16473 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
KEAP1 Q14145 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PKM P14618 1/20 0.33
CYP2D6 P10635 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL1746114 0.98 CYP1A2 (0.97) CYP1A2EPHX1HIF1ACYP2C9GAA
Chloromethane SCHEMBL11328216 0.96 CYP1A2 (0.91) CYP1A2EPHX1HIF1ACYP2C9GAA
Carbimide SCHEMBL10416395 0.96 CYP1A2 (0.91) CYP1A2EPHX1HIF1ACYP2C9GAA
Sulfuric Acid SCHEMBL31183034 0.92 CYP1A2 (0.84) CYP1A2EPHX1HIF1ACYP2C9GAA
SCHEMBL29648226 0.91 CYP1A2 (0.82) CYP1A2EPHX1HIF1ACYP2C9GAA
SCHEMBL2729317 0.89 CYP1A2 (0.80) CYP1A2EPHX1HIF1ACYP2C9GAA
SCHEMBL11036329 0.85 CYP1A2 (0.73) CYP1A2EPHX1HIF1ACYP2C9ALDH1A1
Ethylbenzene SCHEMBL7167647 0.84 CYP1A2 (0.71) CYP1A2CYP2C9ALDH1A1KDM4ESIGMAR1
SCHEMBL3293863 0.84 CYP1A2 (0.72) CYP1A2EPHX1HIF1ACYP2C9GAA
P-Xylene SCHEMBL3752326 0.83 CYP1A2 (0.70) CYP1A2CYP2C9ALDH1A1TSHRSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 7735 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260108619-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LINKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2026-04-23 US claimed
EP-4424333-B1 COMPOSITE GEL, PREPARATION METHOD, AND APPLICATION IMEIK TECH DEVELOPMENT CO LTD (CN) 2026-03-18 EP claimed
US-12508321-B2 Conjugation linkers, cell binding molecule-drug conjugates containing the linkers, methods of making and uses such conjugates with the linkers HANGZHOU DAC BIOTECH CO., LTD. (CN) 2025-12-30 US claimed
US-20250388600-A1 A PROCESS FOR THE PREPARATION OF EDOXABAN AND ITS INTERMEDIATES AMI LIFESCIENCES PRIVATE LIMITED (IN) 2025-12-25 US claimed
US-12496351-B2 Conjugation linkers, cell binding molecule-drug conjugates containing the linkers, methods of making and uses such conjugates with the linkers HANGZHOU DAC BIOTECH CO., LTD. (CN) 2025-12-16 US claimed
US-12497426-B2 Rhamnolipid oligo-esters EVONIK OPERATIONS GMBH (DE) 2025-12-16 US claimed
EP-3419986-B1 RHAMNOLIPIDAMIDES FOR HAIR-PERFUME RETENTION EVONIK OPERATIONS GMBH (DE) 2025-11-05 EP claimed
EP-3927685-B1 A PROCESS FOR THE SYNTHESIS ANTHRANILIC DIAMIDE COMPOUNDS AND INTERMEDIATES THEREOF PI INDUSTRIES LTD (IN) 2025-10-08 EP claimed
EP-4587467-A2 INTERLEUKIN-2 POLYPEPTIDES, FUSION POLYPEPTIDES, AND METHODS OF USE THEREOF Cue Biopharma, Inc. (US) 2025-07-23 EP claimed
US-20250223170-A1 PROCESS FOR IN-SITU FUNCTIONALIZATION OF GRAPHENE NANOXPLORE INC. (CA) 2025-07-10 US claimed
US-4521564-A BONDING POLYURETHANE TO POLYMERIC AMINE, THEN BONING ANTICOAGULANT WARNER-LAMBERT COMPANY (US) 1985-06-04 US claimed
EP-0107119-A1 Blood-treating material TORAY INDUSTRIES, INC. (JP) 1984-05-02 EP claimed
US-4407965-A IMMUNOASSAY FOR GLUCAGON; MEDICAL DIAGNOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-10-04 US claimed
EP-0075928-A2 3-Carbamoyloxymethylcephem derivatives, processes for the preparation thereof, and antibacterial drugs containg same Eisai Co., Ltd. (JP) 1983-04-06 EP claimed
EP-0055450-A1 Pyrazoloindazole derivatives, process for preparing the same, and pharmaceutical composition containing the same Chugai Seiyaku Kabushiki Kaisha (JP) 1982-07-07 EP claimed
US-4332788-A SPECTROPHOTOMETRIC MOCHIDA SEIYAKU KABUSHIKI KAISHA (JP) 1982-06-01 US claimed
EP-0004570-B1 THIOL ESTERS, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND A PROCESS FOR PREPARING CEPHALOSPORIN COMPOUNDS USING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1982-04-14 EP claimed
EP-0004570-A1 Thiol esters, process for their preparation, pharmaceutical compositions containing them and a process for preparing cephalosporin compounds using the same Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1979-10-17 EP claimed
US-4087283-A CARBODIIMIDE AND N-HYDROXY CYCLIC AMINE GAF CORPORATION (US) 1978-05-02 US claimed
US-4012464-A S-(2-diisopropylamino-ethyl)O-ethyl methylphosphonothioate stabilized with soluble carbodiimides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1977-03-15 US claimed