SCHEMBL13746785

SCHEMBL13746785

COC(=O)c1ccc2c(c1Cl)c1c(n2CCCS(=O)(=O)N2CC(C)NC(C)C2)CCCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SCARB1 Q8WTV0 11/20 0.38
▸ PTGDR2 Q9Y5Y4 4/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ACLY P53396 1/20 0.32
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 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
SCHEMBL4204074 0.81 ALDH1A1 (0.45) SCARB1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL4029927 0.80 SCARB1 (0.43) SCARB1PTGDR2KDM4EALDH1A1GAA
SCHEMBL4025431 0.80 SCARB1 (0.46) SCARB1PTGDR2KDM4EALDH1A1GAA
SCHEMBL4033009 0.77 SCARB1 (0.41) SCARB1PTGDR2KDM4EALDH1A1GAA
SCHEMBL4023327 0.76 HSD17B10 (0.41) SCARB1KDM4EALDH1A1GAAMAPT
SCHEMBL4031956 0.73 THRB (0.42) SCARB1
SCHEMBL13746919 0.72 SCARB1 (0.57) SCARB1PTGDR2KDM4EMEN1ALDH1A1
SCHEMBL13747863 0.69 SCARB1 (0.46) SCARB1PTGDR2KDM4EALDH1A1KMT2A
SCHEMBL4027183 0.69 SCARB1 (0.70) SCARB1PTGDR2KDM4EMEN1ALDH1A1
SCHEMBL4025480 0.68 SCARB1 (0.61) SCARB1PTGDR2HSD17B10

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