SCHEMBL9547852

SCHEMBL9547852

CCCCCCCCCCCCCCCCCCOC(C)c1ccc(OCc2ccc(OC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.48
FFAR1 O14842 6/20 0.47
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAOB P27338 1/20 0.46
NR5A1 Q13285 1/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL10333967 0.90 RARB (0.50) NPC1RAB9ANR5A1RXRARXRB
SCHEMBL29118770 0.89 NR5A1 (0.42) NPC1RAB9ANR5A1MAPT
SCHEMBL9547776 0.88 MEN1 (0.48) RAB9ASMN1; SMN2MAOBNR5A1
SCHEMBL9547848 0.85 FFAR1 (0.46) APPFFAR1POLBMAOBNR5A1
SCHEMBL9547770 0.85 PLA2G10 (0.49) FFAR1RAB9ASMN1; SMN2
SCHEMBL9126836 0.78 ALOX5 (0.50) RAB9ASMN1; SMN2
SCHEMBL9547791 0.76 ALOX5 (0.49) RAB9ASMN1; SMN2MAOBMAPT
SCHEMBL9547785 0.75 NR5A1 (0.56) SMN1; SMN2NR5A1ALDH1A1
SCHEMBL9761610 0.75 NR5A1 (0.56) SMN1; SMN2NR5A1ALDH1A1
SCHEMBL9547755 0.75 NR5A1 (0.56) SMN1; SMN2NR5A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288297-B1 OPTICALLY ACTIVE BENZENE DERIVATIVES AND PROCESS FOR PREPARATION THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-17 EP disclosed
US-4985590-A Optically active benzene derivatives and process for preparation thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-01-15 US disclosed
EP-0288297-A2 Optically active benzene derivatives and process for preparation thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-10-26 EP disclosed