SCHEMBL9545504

SCHEMBL9545504

C=CCOc1ccc(Cl)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.61
GAA P10253 2/20 0.61
S1PR4 O95977 5/20 0.53
TDP1 Q9NUW8 2/20 0.51
ALDH1A1 P00352 1/20 0.48
THRB P10828 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
MRGPRX4 Q96LA9 3/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL7025734 0.88 GAA (0.54) TSHRGAAS1PR4TDP1ALDH1A1
SCHEMBL16685038 0.85 GAA (0.57) TSHRGAAS1PR4ALDH1A1NPC1
SCHEMBL9838477 0.83 TSHR (0.47) TSHRGAAS1PR4ALDH1A1NPC1
SCHEMBL11442401 0.83 TSHR (0.47) TSHRGAAS1PR4ALDH1A1NPC1
SCHEMBL23921705 0.81 GAA (0.58) TSHRGAAS1PR4ALDH1A1NPC1
SCHEMBL5957107 0.81 TSHR (0.62) TSHRGAATDP1ALDH1A1NPC1
SCHEMBL5641804 0.81 TSHR (0.58) TSHRGAATDP1ALDH1A1NPC1
SCHEMBL11409542 0.81 MAPT (0.50) TSHRGAATDP1ALDH1A1NPC1
SCHEMBL13777342 0.81 TSHR (0.58) TSHRGAAALDH1A1NPC1ADRA2A
SCHEMBL10509929 0.81 GAA (0.46) TSHRGAAS1PR4ALDH1A1NPC1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4168365-A Flame-retardant phenolic resin MATSUSHITA ELECTRIC WORKS, LTD. (JP) 1979-09-18 US claimed
WO-1993016033-A1 CYCLOHEXENONE OXIME ETHERS, METHODS OF PREPARING THEM AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1993-08-19 WO disclosed
EP-0257391-A2 5-Substituted-3-phenyl-3-(1H-imidazol-1-ylmethyl)-2-methylisoxazolidines FISONS CORPORATION (US) 1988-03-02 EP disclosed
US-4723021-A Substituted 5-(phenoxyalkyl)-3-phenyl-3-(1H-imidazol-1-ylmethyl)-2-methylisoxazolidines PENNWALT CORPORATION (US) 1988-02-02 US disclosed
US-4551543-A Bimetallic carbonyl hydroformylation catalysts EXXON RESEARCH AND ENGINEERING CO. (US) 1985-11-05 US disclosed
US-3985799-A 2-Fluoro-6-trifluoromethylbenzoic acid SANDOZ, INC. (US) 1976-10-12 US disclosed
US-3974092-A COMPOUND, 6B, ORGANOALUMINUM COMPOUND, ETHER OF OLEFIN ALCOHOL CHEMISCHE WERKE HULS AKTIENGESELLSCHAFT (DT) 1976-08-10 US disclosed