SCHEMBL4029779

SCHEMBL4029779

Cc1cc(C)nc(OCCCn2c3c(c4cc(C(=O)O)ccc42)CCCC3)n1

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCARB1 Q8WTV0 17/20 0.82
HSD17B10 Q99714 2/20 0.44
FABP4 P15090 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL13746702 0.91 SCARB1 (0.81) SCARB1HSD17B10
SCHEMBL4026174 0.90 SCARB1 (1.00) SCARB1HSD17B10
SCHEMBL13746499 0.89 SCARB1 (0.77) SCARB1
SCHEMBL4028735 0.86 SCARB1 (0.79) SCARB1HSD17B10
SCHEMBL4205318 0.84 SCARB1 (0.73) SCARB1
SCHEMBL4200388 0.84 SCARB1 (0.73) SCARB1
SCHEMBL13746552 0.83 SCARB1 (0.71) SCARB1
SCHEMBL13746696 0.82 SCARB1 (1.00) SCARB1
SCHEMBL4195163 0.82 SCARB1 (0.80) SCARB1
SCHEMBL4204690 0.81 SCARB1 (1.00) SCARB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009103022-A1 DERIVATIVES OF SUBSTITUTED FUSED RING CYCLOINDOLES AND METHODS OF THEIR USE ITHERX PHARMACEUTICALS, INC. (US) 2009-08-20 WO disclosed
WO-2009103022-A1 DERIVATIVES OF SUBSTITUTED FUSED RING CYCLOINDOLES AND METHODS OF THEIR USE ITHERX PHARMACEUTICALS, INC. (US) 2009-08-20 WO disclosed