SCHEMBL8432129

SCHEMBL8432129

CCCOc1cc(C=Cc2ccc(C(=O)O)cc2)ccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 7/20 0.60
RARB P10826 5/20 0.60
RARG P13631 5/20 0.60
IKBKB O14920 3/20 0.54
KDM4E B2RXH2 1/20 0.43
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
PPARG P37231 6/20 0.43
PPARD Q03181 3/20 0.43
PPARA Q07869 3/20 0.43
HDAC11 Q96DB2 2/20 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
SCHEMBL8432125 1.00 RARA (0.60) RARARARBRARGIKBKBKDM4E
SCHEMBL8432339 0.93 RARA (0.57) RARARARBRARGIKBKBMEN1
SCHEMBL8432342 0.93 RARA (0.57) RARARARBRARGIKBKBMEN1
SCHEMBL8432315 0.89 RARB (0.60) RARARARBRARGIKBKBMEN1
SCHEMBL8432317 0.89 RARB (0.60) RARARARBRARGIKBKBMEN1
SCHEMBL8433266 0.88 RARB (0.58) RARARARBRARGIKBKBKDM4E
SCHEMBL8433262 0.88 RARB (0.58) RARARARBRARGIKBKBKDM4E
SCHEMBL8434299 0.86 RARA (0.56) RARARARBRARGIKBKBKDM4E
SCHEMBL8434304 0.86 RARA (0.56) RARARARBRARGIKBKBKDM4E
SCHEMBL8433269 0.85 RARA (0.67) RARARARBRARGIKBKBMEN1

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