SCHEMBL8077333

SCHEMBL8077333

CC(Cc1cc(NS(=O)(=O)N(C)C)c(OCC2CCCCC2)c(-c2ccccc2)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.42
BCL2A1 Q16548 2/20 0.42
SCN9A Q15858 3/20 0.39
GPR88 Q9GZN0 3/20 0.39
MMP3 P08254 1/20 0.38
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
C5AR1 P21730 1/20 0.36
ITGB1 P05556 4/20 0.36
ITGA4 P13612 4/20 0.36
ITGB7 P26010 4/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
MME P08473 1/20 0.35
ACE P12821 1/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35

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
SCHEMBL8063894 0.86 C5AR1 (0.39) MCL1BCL2A1GPR88PTGER1PTGER4
SCHEMBL7734901 0.86 THRA (0.50) MCL1BCL2A1SCN9AGPR88MMP3
SCHEMBL7735851 0.84 THRA (0.42) MCL1BCL2A1SCN9AGPR88MMP3
SCHEMBL7725082 0.76 THRA (0.53) MCL1BCL2A1SCN9AC5AR1THRA
SCHEMBL7725103 0.74 THRA (0.44) MCL1BCL2A1SCN9AC5AR1THRA
SCHEMBL3895970 0.73 SCN9A (0.39) SCN9AC5AR1
SCHEMBL7725137 0.71 THRA (0.52) MCL1BCL2A1GPR88C5AR1THRA
SCHEMBL3882367 0.71 FABP4 (0.44) GPR88PTGER1PTGER4PTGER3PTGER2
SCHEMBL3892394 0.71 AKR1C3 (0.38) GPR88PTGER1PTGER4PTGER3PTGER2
SCHEMBL7735782 0.70 THRA (0.43) MCL1BCL2A1GPR88C5AR1THRA

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
EP-1024130-A1 BIPHENYL-5-ALKANOIC ACID DERIVATIVES AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-08-02 EP disclosed