SCHEMBL8327932

SCHEMBL8327932

CC1(C)CC=C(c2ccccc2)c2ccc(C(=O)/C=C/c3ccccc3C(=O)O)cc21

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RARB P10826 18/20 0.54
RARG P13631 17/20 0.54
RARA P10276 16/20 0.54
RXRA P19793 1/20 0.54
NR2E1 Q9Y466 1/20 0.54

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
SCHEMBL8327936 1.00 RARB (0.54) RARBRARGRARARXRANR2E1
SCHEMBL8473126 0.94 RARB (0.51) RARBRARGRARARXRANR2E1
SCHEMBL8473124 0.94 RARB (0.51) RARBRARGRARARXRANR2E1
SCHEMBL8561425 0.87 RARA (0.52) RARBRARGRARARXRANR2E1
SCHEMBL8561420 0.87 RARA (0.52) RARBRARGRARARXRANR2E1
SCHEMBL6234034 0.85 RARA (0.71) RARBRARGRARARXRANR2E1
SCHEMBL6234039 0.85 RARA (0.71) RARBRARGRARARXRANR2E1
SCHEMBL8467836 0.78 RARB (0.50) RARBRARGRARARXRANR2E1
SCHEMBL4510438 0.78 RARB (0.60) RARBRARGRARARXRANR2E1
SCHEMBL4510443 0.78 RARB (0.60) RARBRARGRARARXRANR2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5952345-A RETINOID ACID RECEPTOR ANTAGONIST; A DERIVATIVES OF ARYL-SUBSTITUTED AND ARYL (3-OXO-1-PROPENLY)-SUBSTITUTED BENZOPYRAN, BENZOTHIOPYRAN, 1,2-DIHYDROQUINOLINE; PREVENTING TOXICITY OR SIDE EFFECTS CAUSED BY RETINOIDS OR VITAMIN A ALLERGAN SALES, INC. (US) 1999-09-14 US disclosed
US-5877207-A SKIN DISORDERS; ANTICARCINOGENIC AGENTS ALLERGAN SALES, INC. (US) 1999-03-02 US disclosed
US-5776699-A MEASURING GENE EXPRESSION ALLERGAN, INC. (US) 1998-07-07 US disclosed