SCHEMBL8692193

SCHEMBL8692193

COC(=O)c1csc(CSc2ccc(OC)cc2)c1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.41
P2RX2 Q9UBL9 1/20 0.40
CNR2 P34972 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
P2RX7 Q99572 4/20 0.39
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37

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
SCHEMBL8691239 0.91 EPHX2 (0.39) EPHX2P2RX2CNR2ALDH1A1MEN1
SCHEMBL8695608 0.84 ALDH1A1 (0.47) EPHX2P2RX2CNR2ALDH1A1MEN1
SCHEMBL8694978 0.82 EPHX2 (0.46) EPHX2P2RX2CNR2ALDH1A1MEN1
SCHEMBL8693041 0.74 ALDH1A1 (0.45) EPHX2CNR2ALDH1A1MEN1KMT2A
SCHEMBL8691343 0.74 EPHX2 (0.46) EPHX2P2RX2CNR2ALDH1A1MEN1
SCHEMBL8570549 0.69 PPARG (0.45) EPHX2CNR2ALDH1A1MEN1KMT2A
SCHEMBL6084415 0.67 P2RX7 (0.51) EPHX2P2RX2CNR2ALDH1A1MEN1
SCHEMBL8692195 0.67 KMT2A (0.45) CNR2ALDH1A1MEN1KMT2ALMNA
SCHEMBL8571816 0.66 EPHX2 (0.40) EPHX2P2RX2CNR2ALDH1A1KMT2A
SCHEMBL8693779 0.65 CNR2 (0.45) CNR2ALDH1A1MEN1KMT2AP2RX7

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 1 patent. 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 disclosed