SCHEMBL9850319

SCHEMBL9850319

C=CCc1cc2c(cc1C(C)=O)C(C)(C)CCO2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.43
HNF4A P41235 2/20 0.43
RARA P10276 5/20 0.41
RARB P10826 5/20 0.41
RARG P13631 5/20 0.41
CYP26A1 O43174 2/20 0.39
CYP26B1 Q9NR63 2/20 0.39
RXRB P28702 2/20 0.33
RXRG P48443 2/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAP3K14 Q99558 1/20 0.33
ALOX15 P16050 1/20 0.33
SSTR5 P35346 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6668058 0.85 RXRA (0.50) RXRAHNF4ARARARARBRARG
SCHEMBL6668009 0.82 RXRA (0.47) RXRAHNF4ARARARARBRARG
SCHEMBL6665724 0.80 RXRA (0.46) RXRAHNF4ARARARARBRARG
SCHEMBL6669480 0.79 RXRA (0.45) RXRAHNF4ARARARARBRARG
SCHEMBL6665895 0.78 RXRA (0.44) RXRAHNF4ARARARARBRARG
SCHEMBL6664735 0.77 RXRA (0.49) RXRAHNF4ARARARARBRARG
SCHEMBL9850251 0.75 RXRA (0.56) RXRAHNF4ARARARARBRARG
SCHEMBL9850143 0.72 RXRA (0.53) RXRAHNF4ARARARARBRARG
SCHEMBL3260843 0.70 CYP3A4 (0.50) RXRAHNF4ARARARARBRARG
SCHEMBL9850259 0.69 RXRA (0.50) RXRAHNF4ARARARARBRARG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0435681-A1 Chroman esters of phenols and benzoic acids having retinoid-like activity ALLERGAN, INC. (US) 1991-07-03 EP disclosed
US-5006550-A Skin disorder, arthritis, wound healing agents, dry eye syndrome ALLERGAN, INC. (US) 1991-04-09 US disclosed