SCHEMBL188510

SCHEMBL188510

COC([C]=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
THRB P10828 1/20 0.40
CYP3A4 P08684 1/20 0.38
EPHX1 P07099 1/20 0.36
ACP3 P15309 1/20 0.36
TSHR P16473 1/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
CA12 O43570 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CYP2D6 P10635 1/20 0.34
SRC P12931 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7704413 1.00 KMT2A (0.42) KMT2ATHRBCYP3A4EPHX1ACP3
SCHEMBL7306869 1.00 KMT2A (0.42) KMT2ATHRBCYP3A4EPHX1ACP3
SCHEMBL10581191 0.80 KMT2A (0.41) KMT2ATHRBCYP3A4EPHX1ACP3
SCHEMBL7442974 0.78 MIF (0.35) KMT2ATHRBCYP3A4ALDH1A1LMNA
SCHEMBL2796305 0.78 AOC3 (0.41) KMT2AALDH1A1GAALMNA
SCHEMBL198465 0.77 TSHR (0.46) KMT2ATHRBCYP3A4EPHX1TSHR
SCHEMBL8692714 0.77 THRB (0.40) KMT2ATHRBCYP3A4EPHX1TSHR
SCHEMBL198464 0.77 TSHR (0.46) KMT2ATHRBCYP3A4EPHX1TSHR
SCHEMBL27625768 0.77 TSHR (0.46) KMT2ATHRBCYP3A4EPHX1TSHR
SCHEMBL11176872 0.77 CYP2D6 (0.34) KMT2ATSHRLMNACYP2D6SRC

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

Claimed or disclosed in 555 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4347572-A1 AMINO ACIDS BEARING A TETRAZINE MOIETY VALANX Biotech GmbH (AT) 2024-04-10 EP claimed
EP-4259633-A1 PROCESSES FOR THE PREPARATION OF ZANUBRUTINIB AND INTERMEDIATES THEREOF Teva Pharmaceuticals International GmbH (CH) 2023-10-18 EP claimed
EP-4217367-A1 LIQUID COMPOSITION COMPRISING PEPTIDE ALDEHYDE BASF SE (DE) 2023-08-02 EP claimed
WO-2023079128-A1 CATALYTIC HYDROGENATION OF AROMATIC NITRO COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-05-11 WO claimed
EP-4171578-A1 PROCESS FOR SYNTHESIZING CATIONIC LIPIDS Bristol-Myers Squibb Company (US) 2023-05-03 EP claimed
EP-4139305-A1 HALOGENATED-HETEROARYL AND OTHER HETEROCYCLIC KINASE INHIBITORS, AND USES THEREOF iOmx Therapeutics AG (DE) 2023-03-01 EP claimed
WO-2022125862-A1 PROCESSES FOR THE PREPARATION OF ZANUBRUTINIB AND INTERMEDIATES THEREOF TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2022-06-16 WO claimed
WO-2021262745-A1 PROCESS FOR SYNTHESIZING CATIONIC LIPIDS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-12-30 WO claimed
WO-2021216722-A1 STEREOSELECTIVE PROCESS OF MANUFACTURE OF PURINE PHOSPHORAMIDATES Atea Pharmaceuticals, Inc. (US) 2021-10-28 WO claimed
WO-2021214117-A1 HALOGENATED-HETEROARYL AND OTHER HETEROCYCLIC KINASE INHIBITORS, AND USES THEREOF IOMX THERAPEUTICS AG (DE) 2021-10-28 WO claimed
WO-1999067221-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 WO claimed
WO-1999058545-A1 PROCESS FOR PREPARATION OF 4,5-EPOXYMORPHINAN-6-OXYGLUCURONIDES CENES LIMITED (GB) 1999-11-18 WO claimed
EP-0768303-A1 OPTICALLY ACTIVE QUINOLINECARBOXYLIC ACID DERIVATIVE AND PROCESS FOR PRODUCING THE SAME NIPPON SHINYAKU COMPANY, LIMITED (JP) 1997-04-16 EP claimed
EP-0469887-B1 Acetamide derivatives ZENECA LTD (GB) 1994-12-14 EP claimed
US-5270342-A Acetamide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-14 US claimed
CN-1049451-A Antibiotic composite SANRAKU INC (JP) 1991-02-27 CN claimed
EP-0400610-A1 5-Fluorouracil derivatives UBE INDUSTRIES, LTD. (JP) 1990-12-05 EP claimed
EP-0113330-B1 ACYLATED ENAMIDE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND USE OF THESE COMPOUNDS BIOTEC (Société Anonyme) (BE) 1989-03-01 EP claimed
US-4269773-A CEPHALOSPORINS SHIONOGI & CO., LTD. (JP) 1981-05-26 US claimed
US-4103086-A 8-Oxo-4-thia-1-azabicyclo (4.2.0)-oct-2-ene derivatives SMITHKLINE CORPORATION (US) 1978-07-25 US claimed