SCHEMBL8437018

SCHEMBL8437018

COc1cc(C(C)=Cc2ccc(C(=O)O)cc2)ccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 17/20 0.84
RARB P10826 16/20 0.84
RARA P10276 15/20 0.84
RXRA P19793 3/20 0.53
LMNA P02545 2/20 0.53
BLM P54132 2/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
CYP26A1 O43174 1/20 0.53
GMNN O75496 1/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
POLB P06746 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
NFKB1 P19838 1/20 0.53
CYP2C19 P33261 1/20 0.53
THPO P40225 1/20 0.53

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
SCHEMBL8765899 0.91 RARG (1.00) RARGRARBRARARXRALMNA
SCHEMBL8766285 0.91 RARG (1.00) RARGRARBRARARXRALMNA
SCHEMBL8766454 0.91 RARG (1.00) RARGRARBRARARXRALMNA
SCHEMBL566680 0.86 RARG (0.66) RARGRARBRARALMNABLM
SCHEMBL8433269 0.85 RARA (0.67) RARGRARBRARARXRALMNA
SCHEMBL8433268 0.85 RARA (0.67) RARGRARBRARARXRALMNA
SCHEMBL8431874 0.84 RARA (0.66) RARGRARBRARARXRALMNA
SCHEMBL8434108 0.84 RARA (0.66) RARGRARBRARARXRALMNA
SCHEMBL8431871 0.84 RARG (0.63) RARGRARBRARARXRALMNA
SCHEMBL8431877 0.84 RARG (0.63) RARGRARBRARARXRALMNA

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