SCHEMBL546541

SCHEMBL546541

COSCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
PRMT1 Q99873 1/20 0.42
TP53 P04637 1/20 0.42
IDO1 P14902 3/20 0.41
LTA4H P09960 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAOB P27338 1/20 0.40
CALM1 P0DP23 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
Biphenyl SCHEMBL8131646 0.93 ALDH1A1 (0.39) CYP1A2CYP3A4CYP2D6PRMT1TP53
Methylene Chloride SCHEMBL28192144 0.93 CYP1A2 (0.38) CYP1A2CYP3A4CYP2D6PRMT1TP53
Acetic Acid SCHEMBL28365922 0.89 ALDH1A1 (0.47) IDO1NOS3NOS1NOS2MAOB
SCHEMBL28784936 0.82 ALDH1A1 (0.39) TP53LTA4HTSHRALDH1A1
SCHEMBL8450 0.79 IDO1 (0.44) CYP1A2CYP3A4CYP2D6PRMT1TP53
SCHEMBL14491541 0.78 CYP1A2 (0.45) CYP1A2CYP2D6TP53IDO1LTA4H
SCHEMBL3353930 0.78 IDO1 (0.47) CYP1A2IDO1ALDH1A1TAAR1TDP1
Water SCHEMBL28337532 0.77 IDO1 (0.43) CYP1A2CYP3A4CYP2D6PRMT1TP53
SCHEMBL2878615 0.76 TP53 (0.44) CYP1A2CYP3A4CYP2D6PRMT1TP53
SCHEMBL14899725 0.76 TDP1 (0.44) CYP3A4IDO1NOS1TSHRMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119613304-A Allicin derivative, preparation method and application 西北大学 2025-03-14 CN claimed
WO-2023116207-A1 COMPOSITION, PREPARATION METHOD FOR COMPOSITION, AND LIGHT-EMITTING DEVICE TCL科技集团股份有限公司 2023-06-29 WO claimed
CN-104530417-B A kind of multiple functionalized H types polyethyleneglycol derivative and preparation method thereof 厦门赛诺邦格生物科技股份有限公司 2017-09-08 CN claimed
CN-104530415-B A kind of different functionalization Y types polyethyleneglycol derivative, preparation method and its bio-related substance 厦门赛诺邦格生物科技股份有限公司 2017-09-01 CN claimed
CN-104530417-A Multifunctional H-type polyethylene glycol derivative and preparation method thereof XIAMEN SINOPEG BIOTECH INC 2015-04-22 CN claimed
CN-104530415-A Hetero-functionalized Y-type polyethylene glycol derivative, preparation method and biologically related substance thereof XIAMEN SINOPEG BIOTECH INC 2015-04-22 CN claimed
CN-104109235-A Mono-functionalized polyethylene glycol with nitrogen atom branched center and its preparation method and biologically-relevant matter XIAMEN SINOPEG BIOTECH CO LTD 2014-10-22 CN claimed
CN-102211989-B Preparation method of dimer analogues of natural resveratrol dimer analogues UNIV FUDAN 2014-06-11 CN claimed
CN-102211989-A Preparation method of dimer analogues of natural resveratrol dimer analogues UNIV FUDAN 2011-10-12 CN claimed
EP-2078007-B1 IKK-BETA SERINE-THREONINE PROTEIN KINASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-08-31 EP claimed
US-6274715-B1 SEMISYNTHETIC MACROLIDES, USEFUL IN BACTERIAL INFECTIONS TREATMENT AND PREVENTION, HAS LESS POTENTIAL FOR DEVELOPING RESISTANCE, IMPROVED OR MODIFIED PROFILES OF DESIRED GRAM-NEGATIVE ACTIVITY ABBOTT LABORATORIES 2001-08-14 US claimed
EP-0961776-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1999-12-08 EP claimed
WO-1998030574-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-07-16 WO claimed
US-4145374-A OF STYRENE-METHYL METHACRYLATE AND BUTADIENE BORG-WARNER CORPORATION (US) 1979-03-20 US claimed
CN-119613304-A Allicin derivative, preparation method and application 西北大学 2025-03-14 CN disclosed
CN-119613304-A Allicin derivative, preparation method and application 西北大学 2025-03-14 CN disclosed
EP-4370227-A1 EPOXIDE-ACTIVATED SUBSTRATES AND HYDROPHOBIC INTERACTION CHROMATOGRAPHY MEMBRANE MADE THEREFROM Donaldson Company, Inc. (US) 2024-05-22 EP disclosed
US-4518596-A Antithrombotic use of 2-(perhydro-1,4-diazino)-pyrimido (5,4,D)-pyrimidines DR. KARL THOMAE GMBH (DE) 1985-05-21 US disclosed
EP-0132101-A1 2-Heterocycloalkylthiopenem derivatives PFIZER INC. (US) 1985-01-23 EP disclosed
US-4145374-A OF STYRENE-METHYL METHACRYLATE AND BUTADIENE BORG-WARNER CORPORATION (US) 1979-03-20 US disclosed