SCHEMBL9850259

SCHEMBL9850259

CCCCCc1cc2c(cc1C(=O)O)C(C)(C)CCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.50
HNF4A P41235 3/20 0.50
RARA P10276 3/20 0.42
RARB P10826 3/20 0.42
RARG P13631 3/20 0.42
CYP26A1 O43174 1/20 0.38
CYP26B1 Q9NR63 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38

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
SCHEMBL9850143 0.91 RXRA (0.53) RXRAHNF4ARARARARBRARG
SCHEMBL6669480 0.90 RXRA (0.45) RXRAHNF4ARARARARBRARG
SCHEMBL6665895 0.89 RXRA (0.44) RXRAHNF4ARARARARBRARG
SCHEMBL9850251 0.87 RXRA (0.56) RXRAHNF4ARARARARBRARG
SCHEMBL6665724 0.86 RXRA (0.46) RXRAHNF4ARARARARBRARG
SCHEMBL6679884 0.83 RXRA (0.64) RXRAHNF4ARARARARBRARG
SCHEMBL8461561 0.82 RXRA (0.62) RXRAHNF4ARARARARBRARG
SCHEMBL6668009 0.81 RXRA (0.47) RXRAHNF4ARARARARBRARG
SCHEMBL9850230 0.81 RXRA (0.42) RXRAGABRPGABRDGABRA1GABRB1
SCHEMBL9850174 0.79 RARB (0.48) 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