SCHEMBL57499

SCHEMBL57499

[O]c1ccc(-c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
TAAR1 Q96RJ0 2/20 0.50
MAPK1 P28482 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MMP3 P08254 1/20 0.50
BCL2L1 Q07817 1/20 0.50
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
MAPT P10636 2/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
ABCC4 O15439 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL998345 1.00 ALDH1A1 (0.60) ALDH1A1TAAR1MAPK1CYP1A2CYP3A4
SCHEMBL11899848 0.90 ALDH1A1 (0.44) ALDH1A1TAAR1MAPK1CYP1A2CYP3A4
SCHEMBL9936836 0.89 KMO (0.52) ALDH1A1TAAR1CYP3A4CA2MAPT
SCHEMBL14677847 0.86 ALDH1A1 (0.38) ALDH1A1TAAR1MAPK1CYP1A2CYP3A4
SCHEMBL18674172 0.82 ALDH1A1 (0.90) ALDH1A1TAAR1MAPK1CYP1A2CYP3A4
Tannin Pyrogallol SCHEMBL21448 0.82 ALDH1A1 (0.90) ALDH1A1TAAR1MAPK1CYP1A2CYP3A4
SCHEMBL1991754 0.82 ALDH1A1 (0.90) ALDH1A1TAAR1MAPK1CYP1A2CYP3A4
Tannin Pyrogallol SCHEMBL11689471 0.82 ALDH1A1 (0.90) ALDH1A1TAAR1MAPK1CYP1A2CYP3A4
SCHEMBL827097 0.82 ALDH1A1 (0.90) ALDH1A1TAAR1MAPK1CYP1A2CYP3A4
SCHEMBL2637802 0.82 ALDH1A1 (0.90) ALDH1A1TAAR1MAPK1CYP1A2CYP3A4

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 2250 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116726996-A Catalyst for isomerization of branched unsaturated fatty nitrile, preparation method and application thereof 北京旭阳科技有限公司 2023-09-12 CN claimed
CN-112769398-B Flexible microorganism photovoltaic paster 北京华电恩典科技创新有限公司 2021-12-24 CN claimed
CN-113024587-A Condensed aromatic derivative containing boron and nitrogen, method for preparing same, and organic electroluminescent device 吉林奥来德光电材料股份有限公司 2021-06-25 CN claimed
CN-106029802-B Addition-fragmentation oligomers with high refractive index groups 3M创新有限公司 2020-08-18 CN claimed
CN-109627439-A A kind of polyimides of the structure containing young laying ducks in cage and preparation method thereof 株洲时代新材料科技股份有限公司 2019-04-16 CN claimed
US-20190105237-A1 HIGH REFRACTIVE INDEX ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES CO (US) 2019-04-11 US claimed
US-10195119-B2 High refractive index addition-fragmentation agents 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-02-05 US claimed
US-9730864-B2 Addition-fragmentation oligomers having high refractive index groups 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-08-15 US claimed
US-9675529-B2 Dental composition containing high refractive index monomers 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-06-13 US claimed
EP-3107975-A1 ADDITION-FRAGMENTATION OLIGOMERS HAVING HIGH REFRACTIVE INDEX GROUPS 3M Innovative Properties Company (US) 2016-12-28 EP claimed
EP-0159584-B1 N-(AZOLYLCARBAMOYL)-HYDROXYL AMINES AND FUNGICIDES CONTAINING THEM BASF Aktiengesellschaft (DE) 1989-01-18 EP claimed
EP-0219799-B1 METHOD FOR THE PREPARATION OF OXIRANES BAYER AG (DE) 1988-12-14 EP claimed
EP-0219799-A1 Method for the preparation of oxiranes BAYER AG (DE) 1987-04-29 EP claimed
US-4585574-A POSITIVE DIELECTRIC ANISOTROPY BAYER AKTIENGESELLSCHAFT (DE) 1986-04-29 US claimed
EP-0118685-A1 Propene derivatives and their use as plant growth inhibitors DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1984-09-19 EP claimed
EP-0117412-A1 Propene derivatives and their use as plant growth inhibitors DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1984-09-05 EP claimed
EP-0054217-B1 ANTHRAQUINONE DYES, PROCESS FOR THEIR PREPARATION, THEIR USE, AS WELL AS LIQUID-CRYSTAL MATERIAL CONTAINING ANTHRAQUINONE DYES BAYER AG (DE) 1984-06-27 EP claimed
US-4211677-A Polyphosphazene copolymers with phenoxy and with phenylphenoxy and/or naphthoxy groups, and aqueous dispersions DESOTO, INC. (US) 1980-07-08 US claimed
EP-0009482-A1 POLYPHOSPHAZENE AQUEOUS SUSPENSIONS AND HALOGEN-FREE COPOLYMERS USEFUL THEREIN ROSE, Selwyn, H. (US) 1980-04-16 EP claimed
WO-1979000367-A1 POLYPHOSPHAZENE AQUEOUS SUSPENSIONS AND HALOGEN-FREE COPOLYMERS USEFUL THEREIN ROSE S 1979-06-28 WO claimed