SCHEMBL8331012

SCHEMBL8331012

Cc1ccc(C2=CCC(C)(C)c3ccc(C(=O)Nc4ccccc4C(=O)O)cc32)cc1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RARB P10826 15/20 0.72
RARA P10276 13/20 0.72
RARG P13631 11/20 0.72
RXRA P19793 1/20 0.53
NR2E1 Q9Y466 1/20 0.53
DHODH Q02127 1/20 0.48
PTGES O14684 1/20 0.48
ALOX5 P09917 1/20 0.48

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
SCHEMBL8330106 0.90 RARB (0.61) RARBRARARARGRXRANR2E1
SCHEMBL6239917 0.84 RARB (1.00) RARBRARARARGRXRANR2E1
SCHEMBL8632968 0.83 RARA (0.75) RARBRARARARGRXRANR2E1
SCHEMBL7627172 0.82 RARA (0.64) RARBRARARARGRXRANR2E1
SCHEMBL4652302 0.82 RARB (0.74) RARBRARARARGRXRANR2E1
SCHEMBL6234835 0.82 RARA (0.81) RARBRARARARG
SCHEMBL6238148 0.82 RARB (0.77) RARBRARARARGRXRANR2E1
SCHEMBL8331499 0.80 RARB (0.58) RARBRARARARGRXRANR2E1
SCHEMBL6237886 0.80 RARA (1.00) RARBRARARARGRXRANR2E1
SCHEMBL4757231 0.79 RARA (1.00) RARBRARARARGRXRANR2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958954-A 2,2-DIALKYL-4-ARYL-SUBSTITUTED BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES ALLERGAN SALES, INC. (US) 1999-09-28 US disclosed
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