SCHEMBL9850176

SCHEMBL9850176

CCc1cc2c(cc1C(=O)O)C(C)(C)CC(C)(C)O2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.43
AKR1B1 P15121 4/20 0.42
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 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
SCHEMBL9850161 0.91 RXRA (0.46) RXRAAKR1B1RARARARBRARG
SCHEMBL8865432 0.89 AKR1B1 (0.39) RXRAAKR1B1RARARARBRARG
SCHEMBL9850230 0.87 RXRA (0.42) RXRAAKR1B1GABRPGABRDGABRA1
SCHEMBL8462110 0.82 RXRA (0.41) RXRAAKR1B1RARARARBRARG
SCHEMBL8865320 0.80 RXRA (0.41) RXRAAKR1B1SSTR5CYP26A1CYP26B1
SCHEMBL9006972 0.79 RARB (0.40) RXRAAKR1B1RARARARBRARG
SCHEMBL8865693 0.78 RXRA (0.41) RXRAAKR1B1GABRPGABRDGABRA1
SCHEMBL9850251 0.77 RXRA (0.56) RXRARARARARBRARGRXRB
SCHEMBL8865353 0.77 RXRA (0.38) RXRAAKR1B1GABRPGABRDGABRA1
SCHEMBL8864927 0.76 RXRA (0.37) RXRAAKR1B1GABRPGABRDGABRA1

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