SCHEMBL8536284

SCHEMBL8536284

CCC=CCC=CCC=CCC=CCC=CCCCC(=O)Nc1c(F)cc(F)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.52
ALDH1A1 P00352 4/20 0.50
EPHX2 P34913 3/20 0.50
KMT2A Q03164 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
F7 P08709 2/20 0.50
F3 P13726 2/20 0.50
OXER1 Q8TDS5 2/20 0.50
CYP19A1 P11511 1/20 0.50
RXRA P19793 1/20 0.50
PTGS1 P23219 1/20 0.50
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
PPARA Q07869 1/20 0.50
MAPT P10636 4/20 0.48
HPGD P15428 2/20 0.48
GLA P06280 1/20 0.48
THRB P10828 1/20 0.48
SOAT1 P35610 1/20 0.48
CNR2 P34972 3/20 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
SCHEMBL8536281 1.00 CNR1 (0.52) CNR1ALDH1A1EPHX2KMT2AADORA3
SCHEMBL8535603 0.92 ALDH1A1 (0.50) CNR1ALDH1A1EPHX2KMT2AADORA3
SCHEMBL8535602 0.92 ALDH1A1 (0.50) CNR1ALDH1A1EPHX2KMT2AADORA3
SCHEMBL8532602 0.81 HPGD (0.54) CNR1ALDH1A1EPHX2KMT2AADORA3
SCHEMBL8532600 0.81 HPGD (0.54) CNR1ALDH1A1EPHX2KMT2AADORA3
SCHEMBL15480436 0.78 HDAC3 (0.49) ALDH1A1KMT2AMEN1MAPK1
SCHEMBL8532508 0.78 HDAC3 (0.58) CNR1ALDH1A1EPHX2KMT2AADORA3
SCHEMBL8532504 0.78 HDAC3 (0.58) CNR1ALDH1A1EPHX2KMT2AADORA3
SCHEMBL15750406 0.78 HDAC3 (0.58) CNR1ALDH1A1EPHX2KMT2AADORA3
SCHEMBL8531931 0.78 SOAT1 (0.57) CNR1ALDH1A1EPHX2KMT2AADORA3

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