SCHEMBL8433867

SCHEMBL8433867

COCCOCOc1cc(/C=C/c2ccc(C(=O)O)cc2)ccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARA P10276 8/20 0.74
IKBKB O14920 5/20 0.74
RARG P13631 12/20 0.55
RARB P10826 6/20 0.55
MEN1 O00255 1/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
PGR P06401 1/20 0.42
HSPD1 P10809 1/20 0.42
GOT1 P17174 1/20 0.42
GLRA1 P23415 1/20 0.42
BLM P54132 1/20 0.42
HSPE1 P61604 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL5887966 0.92 RARA (0.83) RARAIKBKBRARGRARBMEN1
SCHEMBL8433283 0.91 RARA (0.87) RARAIKBKBRARGRARB
SCHEMBL8397886 0.89 RARA (0.66) RARAIKBKBRARGRARBMEN1
SCHEMBL8431874 0.88 RARA (0.66) RARAIKBKBRARGRARBLMNA
SCHEMBL8434108 0.88 RARA (0.66) RARAIKBKBRARGRARBLMNA
SCHEMBL8433279 0.85 RARA (0.62) RARAIKBKBRARGRARBMEN1
SCHEMBL6535785 0.85 RARA (1.00) RARAIKBKBRARGRARBMEN1
SCHEMBL6570378 0.85 RARA (1.00) RARAIKBKBRARGRARBMEN1
SCHEMBL8432125 0.85 RARA (0.60) RARAIKBKBRARGRARBMEN1
SCHEMBL8432129 0.85 RARA (0.60) RARAIKBKBRARGRARBMEN1

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
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