SCHEMBL8323399

SCHEMBL8323399

CNC([CH]c1ccc(OC)cc1)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.50
TRPA1 O75762 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
SIGMAR1 Q99720 2/20 0.45
ALDH1A1 P00352 1/20 0.44
G6PC1 P35575 1/20 0.44
TAAR1 Q96RJ0 2/20 0.42
SLC18A2 Q05940 1/20 0.42
FPR2 P25090 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.41
RECQL P46063 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
SCHEMBL8325444 0.83 TAAR1 (0.46) PPARGPPARASIGMAR1TAAR1SLC18A2
SCHEMBL8324972 0.81 TAAR1 (0.44) PPARGPPARASIGMAR1ALDH1A1TAAR1
SCHEMBL8323072 0.80 TRPA1 (0.50) LTA4HTRPA1PPARGPPARASIGMAR1
SCHEMBL8326774 0.78 NPC1 (0.52) PPARGPPARASIGMAR1TAAR1SLC18A2
SCHEMBL8324438 0.76 G6PC1 (0.48) LTA4HTRPA1PPARGPPARASIGMAR1
SCHEMBL25660764 0.74 LDHA (0.50) LTA4HALDH1A1
SCHEMBL8327429 0.73 TAAR1 (0.42) SIGMAR1ALDH1A1TAAR1SLC18A2
SCHEMBL8325015 0.72 MAOA (0.45) SIGMAR1TAAR1SLC18A2MEN1KMT2A
SCHEMBL8322850 0.72 NFE2L2 (0.45) PPARGPPARASIGMAR1TAAR1SLC18A2
SCHEMBL8324981 0.72 GRIN1 (0.43) SIGMAR1ALDH1A1TAAR1SLC18A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0948496-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDONE COMPOUNDS AND METHODS OF USE Amgen inc. (US) 1999-10-13 EP disclosed
WO-1998024780-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDINONE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 WO disclosed