SCHEMBL8693245

SCHEMBL8693245

COc1ccc(C(=O)O)c(C[S+]([O-])c2ccccc2)c1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.41
FAAH O00519 2/20 0.41
P2RX7 Q99572 2/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
RARA P10276 2/20 0.39
RARB P10826 2/20 0.39
RARG P13631 2/20 0.39
NR1I2 O75469 1/20 0.39
LMNA P02545 1/20 0.39
PGR P06401 1/20 0.39
HSPD1 P10809 1/20 0.39
GOT1 P17174 1/20 0.39
GLRA1 P23415 1/20 0.39
BLM P54132 1/20 0.39
HSPE1 P61604 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GPR55 Q9Y2T6 1/20 0.36
DHODH Q02127 1/20 0.36

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
SCHEMBL8694160 0.82 CNR2 (0.43) CNR2FAAHP2RX7KMT2AMEN1
SCHEMBL8690497 0.80 CNR2 (0.42) CNR2FAAHP2RX7KMT2AMEN1
SCHEMBL8839059 0.80 CNR2 (0.42) CNR2FAAHP2RX7KMT2AMEN1
SCHEMBL8691788 0.79 CNR2 (0.41) CNR2FAAHP2RX7KMT2AMEN1
SCHEMBL9160266 0.76 FABP4 (0.47) CNR2FAAHP2RX7KMT2AMEN1
SCHEMBL8693237 0.76 RARA (0.49) CNR2FAAHP2RX7KMT2AMEN1
SCHEMBL15765977 0.75 CNR2 (0.48) CNR2FAAHP2RX7KMT2AMEN1
SCHEMBL15766000 0.75 TDP1 (0.51) CNR2FAAHP2RX7KMT2AMEN1
SCHEMBL566279 0.75 KMT2A (0.46) CNR2FAAHP2RX7KMT2AMEN1
SCHEMBL8691704 0.73 CNR2 (0.47) CNR2FAAHP2RX7KMT2AMEN1

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