SCHEMBL13746503

SCHEMBL13746503

COBNCCCn1c2c(c3cc(S(C)(=O)=O)ccc31)CCCC2

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SCARB1 Q8WTV0 8/20 0.67
▸ PTGS1 P23219 3/20 0.56
▸ PTGS2 P35354 3/20 0.56
▸ PTGDR2 Q9Y5Y4 5/20 0.46
▸ SIRT2 Q8IXJ6 3/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ SIRT1 Q96EB6 1/20 0.42

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
SCHEMBL4190055 0.81 SCARB1 (0.72) SCARB1PTGS1PTGS2PTGDR2SIRT2
SCHEMBL4205583 0.81 SCARB1 (0.72) SCARB1PTGS1PTGS2PTGDR2SIRT2
SCHEMBL13746688 0.80 SCARB1 (1.00) SCARB1PTGS1PTGS2PTGDR2SIRT2
SCHEMBL4188291 0.77 SCARB1 (0.72) SCARB1PTGS1PTGS2PTGDR2SIRT2
SCHEMBL4199253 0.76 SCARB1 (0.66) SCARB1PTGS1PTGS2PTGDR2SIRT2
SCHEMBL4200984 0.76 SCARB1 (0.68) SCARB1PTGS1PTGS2PTGDR2
SCHEMBL13746696 0.75 SCARB1 (1.00) SCARB1PTGS1PTGS2
SCHEMBL4202035 0.74 SCARB1 (0.66) SCARB1PTGS1PTGS2PTGDR2
SCHEMBL4194010 0.74 SCARB1 (0.60) SCARB1PTGS1PTGS2PTGDR2SIRT2
SCHEMBL4192942 0.74 SCARB1 (1.00) SCARB1PTGS1PTGS2

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
Send feedback