SCHEMBL8532602

SCHEMBL8532602

CCC=CCC=CCC=CCC=CCC=CCCCC(=O)Nc1c(C)cc(C)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPT P10636 3/20 0.54
GLA P06280 1/20 0.54
THRB P10828 1/20 0.54
POLB P06746 1/20 0.53
CNR1 P21554 2/20 0.52
ADORA3 P0DMS8 2/20 0.50
KMT2A Q03164 2/20 0.50
EPHX2 P34913 1/20 0.50
F7 P08709 1/20 0.50
CYP19A1 P11511 1/20 0.50
F3 P13726 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
OXER1 Q8TDS5 1/20 0.50
NR1I2 O75469 1/20 0.49

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
SCHEMBL8532600 1.00 HPGD (0.54) HPGDALDH1A1MAPTGLATHRB
SCHEMBL8536826 0.92 ALDH1A1 (0.50) HPGDALDH1A1MAPTGLATHRB
SCHEMBL8536833 0.92 ALDH1A1 (0.50) HPGDALDH1A1MAPTGLATHRB
SCHEMBL8532508 0.86 HDAC3 (0.58) HPGDALDH1A1MAPTGLATHRB
SCHEMBL15750406 0.86 HDAC3 (0.58) HPGDALDH1A1MAPTGLATHRB
SCHEMBL8532504 0.86 HDAC3 (0.58) HPGDALDH1A1MAPTGLATHRB
SCHEMBL8536281 0.81 CNR1 (0.52) HPGDALDH1A1MAPTGLATHRB
SCHEMBL8536284 0.81 CNR1 (0.52) HPGDALDH1A1MAPTGLATHRB
SCHEMBL22430511 0.79 HPGD (0.79) HPGDALDH1A1POLBKMT2ALMNA
SCHEMBL8531931 0.78 SOAT1 (0.57) HPGDALDH1A1MAPTGLATHRB

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