SCHEMBL8469320

SCHEMBL8469320

CCc1c(C(=O)O)cccc1-c1ccc2c(c1)C(c1ccc(C(C)(C)C)s1)=CC(C)(C)S2

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.42
RARB P10826 2/20 0.42
RARG P13631 2/20 0.42
SYK P43405 2/20 0.35
PTPN11 Q06124 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL8331032 0.90 RARA (0.53) RARARARBRARGSYKRXFP1
SCHEMBL8329461 0.83 RARA (0.49) RARARARBRARGSYKPTPN11
SCHEMBL8327517 0.83 RARA (0.40) RARARARBRARGSYKPTPN11
SCHEMBL8331248 0.70 RARB (0.38) RARARARBRARGNPSR1
SCHEMBL8469318 0.69 RARA (0.37) RARARARBRARG
SCHEMBL8331925 0.65 RARA (0.48) RARARARBRARGNPSR1RXFP1
SCHEMBL8333153 0.65 RARA (0.48) RARARARBRARG
SCHEMBL7179753 0.64 SLC6A2 (0.54) SYKPTPN11
SCHEMBL10984209 0.64 HNF4A (0.58) SYK
SCHEMBL8329653 0.64 RARA (0.37) RARARARBRARG

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 1 patent. 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