SCHEMBL10420189

SCHEMBL10420189

CC(C)OC(=O)C=Cc1cc([N+](=O)[O-])c(F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.39
CA12 O43570 1/20 0.38
AKR1B10 O60218 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
XPO1 O14980 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
DPP4 P27487 1/20 0.36
PREP P48147 1/20 0.36
DPP9 Q86TI2 1/20 0.36
MAPT P10636 2/20 0.35
PDK1 Q15118 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL10420188 1.00 AKR1B1 (0.39) AKR1B1CA12AKR1B10CA1CA2
SCHEMBL8915201 0.83 STAT3 (0.45) KMT2AMEN1GAAHPGDDPP4
SCHEMBL8915195 0.83 STAT3 (0.45) KMT2AMEN1GAAHPGDDPP4
SCHEMBL9756672 0.80 MAPT (0.51) KMT2AMEN1MAPTKDM4ESMN1; SMN2
SCHEMBL9756670 0.80 MAPT (0.51) KMT2AMEN1MAPTKDM4ESMN1; SMN2
SCHEMBL10418843 0.80 CA12 (0.41) AKR1B1CA12AKR1B10CA1CA2
SCHEMBL10418844 0.80 CA12 (0.41) AKR1B1CA12AKR1B10CA1CA2
SCHEMBL9756705 0.79 CYP1A2 (0.53) AKR1B1CA12AKR1B10CA1CA2
SCHEMBL9756703 0.79 CYP1A2 (0.53) AKR1B1CA12AKR1B10CA1CA2
SCHEMBL24152418 0.76 CRHBP (0.44) CA12CA1CA2CA7CA9

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
US-4979982-A Herbicidal cinnamic ester uracils UNIROYAL CHEMICAL COMPANY, INC. (US) 1990-12-25 US disclosed