SCHEMBL8536089

SCHEMBL8536089

CCC=CCC=CCC=CCC=CCC=CCCCC(=O)NCCNC(=O)Nc1c(C(C)C)cccc1C(C)C

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.65
CNR1 P21554 3/20 0.54
EPHX2 P34913 4/20 0.52
SREBF2 Q12772 1/20 0.52
MAPT P10636 1/20 0.49
FAAH O00519 1/20 0.47
CNR2 P34972 1/20 0.47

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
SCHEMBL8536086 1.00 SOAT1 (0.65) SOAT1CNR1EPHX2SREBF2MAPT
SCHEMBL8532494 0.93 SOAT1 (0.55) SOAT1CNR1EPHX2MAPTFAAH
SCHEMBL8532492 0.93 SOAT1 (0.55) SOAT1CNR1EPHX2MAPTFAAH
SCHEMBL8537159 0.87 SOAT1 (0.83) SOAT1CNR1EPHX2MAPTFAAH
SCHEMBL8537160 0.87 SOAT1 (0.83) SOAT1CNR1EPHX2MAPTFAAH
SCHEMBL8533581 0.84 SOAT1 (0.61) SOAT1CNR1EPHX2MAPTFAAH
SCHEMBL8533580 0.84 SOAT1 (0.61) SOAT1CNR1EPHX2MAPTFAAH
SCHEMBL8532499 0.84 EPHX2 (0.60) SOAT1CNR1EPHX2MAPTFAAH
SCHEMBL8533117 0.80 SOAT1 (0.70) SOAT1CNR1EPHX2MAPTFAAH
SCHEMBL8533118 0.80 SOAT1 (0.70) SOAT1CNR1EPHX2MAPTFAAH

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