SCHEMBL9607414

SCHEMBL9607414

CCOC(=O)/C=C(/Nc1ccc(Cl)c(Cl)c1)c1ccc(Cc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.47
MAPK1 P28482 4/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43
EPHX2 P34913 4/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
CETP P11597 2/20 0.41
OPRK1 P41145 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ABL1 P00519 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.40
CSNK1D P48730 1/20 0.39

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
SCHEMBL9607492 0.88 POLB (0.43) TRPV1MAPK1MAPTPOLBEPHX2
SCHEMBL9607506 0.85 EPHX2 (0.45) TRPV1MAPTPOLBEPHX2PPARG
SCHEMBL9607091 0.85 EPHX2 (0.45) TRPV1MAPTPOLBEPHX2PPARG
SCHEMBL9607090 0.84 PDE2A (0.42) MAPTNPSR1POLBEPHX2PPARG
SCHEMBL9607177 0.79 KMT2A (0.50) MAPTPOLBEPHX2KMT2AMEN1
SCHEMBL9607491 0.79 HTR1D (0.43) MAPK1MAPTEPHX2KMT2AMEN1
SCHEMBL8515707 0.74 KMT2A (0.44) TRPV1EPHX2PPARAKMT2AMEN1
SCHEMBL8515651 0.72 KMT2A (0.48) TRPV1MAPTEPHX2KMT2ASMN1; SMN2
SCHEMBL8515949 0.71 POLB (0.56) MAPTPOLBEPHX2PPARGPPARA
SCHEMBL8535569 0.71 SMN1; SMN2 (0.49) MAPTNPSR1POLBKMT2AMEN1

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
WO-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 WO disclosed