SCHEMBL8537601

SCHEMBL8537601

CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)Nc1ccc(CNC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.52
EPHX2 P34913 3/20 0.46
FAAH O00519 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
ALOX12 P18054 1/20 0.41

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
SCHEMBL8537603 1.00 SOAT1 (0.52) SOAT1EPHX2FAAHCNR1CNR2
SCHEMBL8533581 0.94 SOAT1 (0.61) SOAT1EPHX2FAAHCNR1CNR2
SCHEMBL8533580 0.94 SOAT1 (0.61) SOAT1EPHX2FAAHCNR1CNR2
SCHEMBL8537167 0.92 EPHX2 (0.51) SOAT1EPHX2FAAHCNR1CNR2
SCHEMBL8532499 0.86 EPHX2 (0.60) SOAT1EPHX2FAAHCNR1CNR2
SCHEMBL8533118 0.84 SOAT1 (0.70) SOAT1EPHX2FAAHCNR1
SCHEMBL8533117 0.84 SOAT1 (0.70) SOAT1EPHX2FAAHCNR1
SCHEMBL8532492 0.83 SOAT1 (0.55) SOAT1EPHX2FAAHCNR1CNR2
SCHEMBL8532494 0.83 SOAT1 (0.55) SOAT1EPHX2FAAHCNR1CNR2
SCHEMBL8536089 0.77 SOAT1 (0.65) SOAT1EPHX2FAAHCNR1CNR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5801178-A ACAT INHIBITOR, ARTERIOSCLEROSIS NIPPON SHOJI KAISH LTD. (JP) 1998-09-01 US disclosed
EP-0726247-B1 Aniline derivatives having a polyunsaturated fatty acid residue and use thereof NIPPON SHOJI KAISHA LTD (JP) 1998-07-08 EP disclosed
EP-0726247-A1 Aniline derivatives having a polyunsaturated fatty acid residue and use thereof NIPPON SHOJI KAISHA, LIMITED (JP) 1996-08-14 EP disclosed