SCHEMBL1985253

SCHEMBL1985253

CCc1c(OC(=O)O)nn(-c2ccc(OC)cc2)c1-c1ccc(Cl)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
PDE4D Q08499 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
MAPT P10636 5/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 2/20 0.35
ALOX5 P09917 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
THRB P10828 1/20 0.35
RPA1 P27694 2/20 0.34
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL1983550 0.91 CNR1 (0.43) CNR1CNR2PDE4DMAPTKMT2A
SCHEMBL1986031 0.91 PDE4D (0.41) PDE4DMAPTALDH1A1TP53RPA1
SCHEMBL1987138 0.88 TP53 (0.39) CNR1CNR2PDE4DMAPTALDH1A1
SCHEMBL1983811 0.86 MAPT (0.40) PDE4DRXRARXRBRXRGMAPT
SCHEMBL1985252 0.85 TP53 (0.46) CNR1CNR2PDE4DMAPTKMT2A
SCHEMBL1984671 0.84 RXRA (0.39) PDE4DRXRARXRBRXRGMAPT
SCHEMBL1987824 0.83 KMT2A (0.40) CNR1CNR2MAPTKMT2AALDH1A1
SCHEMBL1983836 0.81 PDE4D (0.38) PDE4DMAPTKMT2AALDH1A1MEN1
SCHEMBL1983924 0.81 MAPT (0.36) PDE4DRXRARXRBRXRGMAPT
SCHEMBL1988695 0.80 CNR1 (0.45) CNR1CNR2PDE4DMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1602656-B1 PYRAZOLE DERIVATIVES HAVING AFFINITY FOR CB1 AND/OR CB2 RECEPTORS NEUROSCIENZE PHARMANESS S C A R L (IT) 2011-06-29 EP claimed