SCHEMBL4024404

SCHEMBL4024404

COC(=O)c1ccc2c(c1)c1c(n2CCCS(=O)(=O)N2CCOCC2)CCCC1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SCARB1 Q8WTV0 9/20 0.58
▸ HSD17B10 Q99714 1/20 0.43
▸ RORC P51449 2/20 0.43
▸ PTGDR2 Q9Y5Y4 5/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL4025480 0.93 SCARB1 (0.61) SCARB1HSD17B10RORCPTGDR2
SCHEMBL13746919 0.87 SCARB1 (0.57) SCARB1HSD17B10RORCPTGDR2ALDH1A1
SCHEMBL13747097 0.83 SCARB1 (0.59) SCARB1HSD17B10RORCPTGDR2L3MBTL1
SCHEMBL4188561 0.82 SCARB1 (0.67) SCARB1HSD17B10RORCPTGDR2
SCHEMBL4728860 0.81 SCARB1 (0.61) SCARB1RORCPTGDR2
SCHEMBL4030252 0.81 SCARB1 (0.70) SCARB1HSD17B10RORCPTGDR2ALDH1A1
SCHEMBL4028636 0.80 SCARB1 (0.67) SCARB1RORCPTGDR2L3MBTL1
SCHEMBL4028758 0.80 SCARB1 (0.72) SCARB1HSD17B10RORCPTGDR2
SCHEMBL4189175 0.80 SCARB1 (0.69) SCARB1HSD17B10RORCPTGDR2ALDH1A1
SCHEMBL4024931 0.80 SCARB1 (0.69) SCARB1HSD17B10RORCPTGDR2ALDH1A1

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
Send feedback