SCHEMBL7745375

SCHEMBL7745375

CCOC(=O)COc1cccc(Oc2c[c]c(F)cc2C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.43
PPARG P37231 1/20 0.43
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NLRP3 Q96P20 2/20 0.41
SQOR Q9Y6N5 1/20 0.39
KDM4E B2RXH2 3/20 0.38
GLA P06280 1/20 0.38
GAA P10253 2/20 0.38
HSD17B10 Q99714 1/20 0.38
AR P10275 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.37
CNR1 P21554 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36

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
SCHEMBL7744878 0.91 NPSR1 (0.43) POLBMEN1ALDH1A1MAPK1KMT2A
SCHEMBL5841619 0.85 NLRP3 (0.43) POLBMEN1ALDH1A1MAPK1KMT2A
SCHEMBL7747650 0.84 PPARA (0.45) PPARAPPARGPOLBALDH1A1NLRP3
SCHEMBL7745408 0.78 AR (0.49) POLBALDH1A1L3MBTL1KDM4EGLA
SCHEMBL7745251 0.75 AR (0.40) ALDH1A1ARSMN1; SMN2
SCHEMBL5536693 0.75 ALDH1A1 (0.50) PPARAPPARGPOLBMEN1ALDH1A1
SCHEMBL9863137 0.74 PPARA (0.67) PPARAPPARGALDH1A1MAPK1L3MBTL1
SCHEMBL7740125 0.74 GAA (0.46) POLBALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL6595259 0.73 AR (0.48) MEN1ALDH1A1MAPK1KMT2AKDM4E
SCHEMBL10289328 0.72 PPARA (0.55) PPARAPPARGPOLBMEN1ALDH1A1

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-2001009087-A1 SUBSTITUTED ARYLHYDRAZONE CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-02-08 WO disclosed