SCHEMBL8330110

SCHEMBL8330110

Cc1ccc(C2=CCC(C)(C)c3ccc(C(=S)c4cccc(C(=O)O)c4N)cc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RARB P10826 18/20 0.57
RARA P10276 16/20 0.57
RARG P13631 16/20 0.57
RXRA P19793 1/20 0.49
NR2E1 Q9Y466 1/20 0.49

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
SCHEMBL8331013 0.90 RARB (0.59) RARBRARARARGRXRANR2E1
SCHEMBL6238148 0.81 RARB (0.77) RARBRARARARGRXRANR2E1
SCHEMBL8330106 0.80 RARB (0.61) RARBRARARARGRXRANR2E1
SCHEMBL8661089 0.80 RARB (0.50) RARBRARARARGRXRANR2E1
SCHEMBL8331012 0.78 RARB (0.72) RARBRARARARGRXRANR2E1
SCHEMBL8331499 0.78 RARB (0.58) RARBRARARARGRXRANR2E1
SCHEMBL8661419 0.77 RARB (0.48) RARBRARARARGRXRANR2E1
SCHEMBL8331292 0.77 RARB (0.51) RARBRARARARGRXRANR2E1
SCHEMBL8661314 0.77 RARB (0.47) RARBRARARARGRXRANR2E1
SCHEMBL13785038 0.77 RARB (0.77) 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 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