SCHEMBL8433273

SCHEMBL8433273

COC(C)OCOc1cc(C#Cc2ccc(C(=O)O)cc2)ccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARA P10276 13/20 0.45
IKBKB O14920 6/20 0.45
RARB P10826 12/20 0.44
RARG P13631 12/20 0.44
MEN1 O00255 1/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
PGR P06401 1/20 0.43
HSPD1 P10809 1/20 0.43
GOT1 P17174 1/20 0.43
GLRA1 P23415 1/20 0.43
BLM P54132 1/20 0.43
HSPE1 P61604 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP26A1 O43174 1/20 0.41
CYP3A4 P08684 1/20 0.41
CRABP2 P29373 1/20 0.41

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
SCHEMBL8617706 0.93 RARA (0.51) RARAIKBKBRARBRARGMEN1
SCHEMBL8432000 0.91 RARA (0.43) RARAIKBKBRARBRARGMEN1
SCHEMBL8616959 0.90 RARA (0.45) RARAIKBKBRARBRARGMEN1
SCHEMBL8618854 0.90 RARA (0.46) RARAIKBKBRARBRARGMEN1
SCHEMBL8397880 0.89 RARA (0.48) RARAIKBKBRARBRARGMEN1
SCHEMBL8432390 0.89 IKBKB (0.43) RARAIKBKBRARBRARGMEN1
SCHEMBL8431849 0.88 PPARG (0.41) RARAIKBKB
SCHEMBL8436371 0.88 S1PR1 (0.34) RARAIKBKBRARBRARGMEN1
SCHEMBL8431940 0.86 CYP3A4 (0.49) RARAIKBKBRARBRARGMEN1
SCHEMBL8432347 0.85 HIF1A (0.38) RARAIKBKBRARBPGR

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-0776881-B1 Bi-aromatic compounds comprising an adamantyl group in para-position, pharmaceutical and cosmetic compositions containing them and their utilization CIRD GALDERMA (FR) 1999-12-08 EP claimed
EP-0776881-B1 Bi-aromatic compounds comprising an adamantyl group in para-position, pharmaceutical and cosmetic compositions containing them and their utilization CIRD GALDERMA (FR) 1999-12-08 EP disclosed
EP-0776881-A1 Bi-aromatic compounds comprising an adamantyl group in para-position, pharmaceutical and cosmetic compositions containing them and their utilization CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1997-06-04 EP disclosed