SCHEMBL9850358

SCHEMBL9850358

CCCc1cc2c(cc1C(=O)Oc1ccc(C(=O)OC)cc1)C(C)(C)CCO2

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.50
RARA P10276 6/20 0.50
RARG P13631 4/20 0.50
RXRA P19793 4/20 0.49
HNF4A P41235 1/20 0.49
CYP3A4 P08684 3/20 0.43
CYP26A1 O43174 3/20 0.40
CYP26B1 Q9NR63 1/20 0.39
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL9850174 0.93 RARB (0.48) RARBRARARARGRXRAHNF4A
SCHEMBL9850261 0.93 RARB (0.53) RARBRARARARGRXRAHNF4A
SCHEMBL9850221 0.91 RARA (0.54) RARBRARARARGRXRAHNF4A
SCHEMBL9850106 0.90 RXRA (0.48) RARBRARARARGRXRAHNF4A
SCHEMBL9850125 0.86 RARB (0.55) RARBRARARARGRXRAHNF4A
SCHEMBL9850240 0.85 RARA (0.52) RARBRARARARGRXRAHNF4A
SCHEMBL9850280 0.84 RXRA (0.41) RARBRARARARGRXRACYP3A4
SCHEMBL9850253 0.84 RXRA (0.49) RARBRARARARGRXRAHNF4A
SCHEMBL9850172 0.84 RXRA (0.46) RARBRARARARGRXRAHNF4A
SCHEMBL9850185 0.84 RARA (0.56) RARBRARARARGRXRAHNF4A

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