SCHEMBL8693237

SCHEMBL8693237

COc1ccc([S+]([O-])Cc2ccccc2C(=O)O)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 4/20 0.49
RARB P10826 4/20 0.49
RARG P13631 4/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
NR1I2 O75469 1/20 0.49
LMNA P02545 1/20 0.49
PGR P06401 1/20 0.49
HSPD1 P10809 1/20 0.49
GOT1 P17174 1/20 0.49
GLRA1 P23415 1/20 0.49
BLM P54132 1/20 0.49
HSPE1 P61604 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HDAC11 Q96DB2 2/20 0.41
HDAC2 Q92769 1/20 0.41
S1PR1 P21453 1/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC8 Q9BY41 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
SCHEMBL8424849 0.82 RARA (0.57) RARARARBRARGKMT2AMEN1
SCHEMBL8694154 0.81 RARA (0.48) RARARARBRARGKMT2AMEN1
SCHEMBL8426086 0.80 RARA (0.57) RARARARBRARGKMT2AMEN1
SCHEMBL8693242 0.79 RARA (0.48) RARARARBRARGKMT2AMEN1
SCHEMBL8691782 0.79 RARA (0.50) RARARARBRARGKMT2AMEN1
SCHEMBL8690489 0.79 RARA (0.52) RARARARBRARGKMT2AMEN1
SCHEMBL8691102 0.77 RARA (0.48) RARARARBRARGKMT2AMEN1
SCHEMBL8839053 0.77 RARA (0.55) RARARARBRARGKMT2AMEN1
SCHEMBL9078617 0.76 RARA (0.64) RARARARBRARGKMT2AMEN1
SCHEMBL8693245 0.76 CNR2 (0.41) RARARARBRARGKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5786379-A Adamantyl-substituted biaromatic compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-07-28 US claimed
US-5786379-A Adamantyl-substituted biaromatic compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-07-28 US disclosed