SCHEMBL8329074

SCHEMBL8329074

C#Cc1cc(-c2ccc3c(c2)C(c2nc(C)cs2)=CCC3(C)C)ccc1C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 12/20 0.37
RARG P13631 12/20 0.37
RARA P10276 11/20 0.37
CDK5 Q00535 5/20 0.35
CDK5R1 Q15078 5/20 0.35
RAB9A P51151 3/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 2/20 0.33
CASP3 P42574 1/20 0.33
ATM Q13315 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
CLK1 P49759 1/20 0.33

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
SCHEMBL8327478 0.87 RARB (0.40) RARBRARGRARARAB9ANPC1
SCHEMBL8331408 0.85 RARB (0.37) RARBRARGRARARAB9AGAA
SCHEMBL8329764 0.84 RARB (0.49) RARBRARGRARARAB9AGAA
SCHEMBL6237080 0.78 RARA (0.53) RARBRARGRARA
SCHEMBL27554953 0.74 RARB (0.39) RARBRARGRARARAB9A
SCHEMBL9007121 0.73 RARA (0.43) RARBRARGRARARAB9AGAA
SCHEMBL9007048 0.70 RARA (0.37) RARBRARGRARARAB9AGAA
SCHEMBL6240546 0.69 RARA (0.66) RARBRARGRARA
SCHEMBL9006978 0.68 NPC1 (0.34) RARBRARGRARARAB9AGAA
SCHEMBL8671303 0.68 NPC1 (0.39) RARBRARGRARARAB9ANPC1

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