SCHEMBL4728754

SCHEMBL4728754

COC(=O)c1ccc2c(c1)c1c(n2CCCCS(=O)(=O)c2ccccc2)CCCC1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SCARB1 Q8WTV0 4/20 0.60
▸ PTGDR2 Q9Y5Y4 10/20 0.52
▸ RORC P51449 2/20 0.50
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45

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
SCHEMBL4728860 0.97 SCARB1 (0.61) SCARB1PTGDR2RORCRXFP1
SCHEMBL4029504 0.82 SCARB1 (0.68) SCARB1PTGDR2RORCHDAC1HDAC6
SCHEMBL4030252 0.82 SCARB1 (0.70) SCARB1PTGDR2RORCHDAC1HDAC6
SCHEMBL4188561 0.82 SCARB1 (0.67) SCARB1PTGDR2RORCHSD17B10
SCHEMBL4025480 0.81 SCARB1 (0.61) SCARB1PTGDR2RORCHSD17B10
SCHEMBL4189175 0.81 SCARB1 (0.69) SCARB1PTGDR2RORCHDAC1HDAC6
SCHEMBL4028758 0.81 SCARB1 (0.72) SCARB1PTGDR2RORCHDAC1HDAC6
SCHEMBL4024931 0.81 SCARB1 (0.69) SCARB1PTGDR2RORCHDAC1HDAC6
SCHEMBL4195549 0.80 SCARB1 (0.68) SCARB1PTGDR2RORCHDAC1HDAC6
SCHEMBL4199573 0.79 SCARB1 (0.61) SCARB1PTGDR2RORCHDAC1HDAC6

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-2008021745-A2 HEPATITIS C VIRUS ENTRY INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2008-02-21 — — WO disclosed
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