SCHEMBL8433276

SCHEMBL8433276

CCOC(OC)Oc1cc(C#Cc2ccc(C(=O)O)cc2)ccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 14/20 0.44
RARB P10826 14/20 0.44
RARG P13631 14/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 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
TDP1 Q9NUW8 1/20 0.43
CYP26A1 O43174 1/20 0.41
CYP3A4 P08684 1/20 0.41
CRABP2 P29373 1/20 0.41
IKBKB O14920 3/20 0.40
THRB P10828 1/20 0.37
RECQL P46063 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
SCHEMBL8617711 0.93 RARA (0.48) RARARARBRARGMEN1KMT2A
SCHEMBL8431995 0.91 RARA (0.40) RARARARBRARGMEN1KMT2A
SCHEMBL8616957 0.90 RARA (0.45) RARARARBRARGMEN1KMT2A
SCHEMBL8431850 0.89 PPARG (0.41)
SCHEMBL8397882 0.89 RARG (0.48) RARARARBRARGMEN1KMT2A
SCHEMBL8432383 0.89 RARA (0.39) RARARARBRARGMEN1KMT2A
SCHEMBL8434104 0.88 S1PR1 (0.33) RARARARBRARGMEN1KMT2A
SCHEMBL8394296 0.87 CNR2 (0.35) RARARARBRARGMEN1KMT2A
SCHEMBL8432026 0.85 HIF1A (0.37) RARBPGR
SCHEMBL8432429 0.85 CYP3A4 (0.48) RARARARBRARGMEN1KMT2A

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