SCHEMBL9700103

SCHEMBL9700103

CCc1cc([N+](=O)[O-])c(CC)c(OC)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.47
IMPDH2 P12268 1/20 0.43
PKM P14618 1/20 0.40
FBP1 P09467 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 2/20 0.36
HCAR3 P49019 2/20 0.36
PDK1 Q15118 1/20 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
SCHEMBL10657325 0.79 POLB (0.44) FBP1L3MBTL1CA1CA2TDP1
SCHEMBL2646567 0.76 HSD17B10 (0.46) TPMTL3MBTL1CA1CA2TDP1
SCHEMBL10381672 0.73 FBP1 (0.43) FBP1L3MBTL1CA1CA2TDP1
SCHEMBL10381671 0.73 FBP1 (0.43) FBP1L3MBTL1CA1CA2TDP1
SCHEMBL3181313 0.72 TPMT (0.45) TPMTKMT2AMAPTMEN1GAA
SCHEMBL28356969 0.72 GAA (0.56) TPMTKMT2AMAPTALDH1A1GAA
SCHEMBL5650926 0.71 TPMT (0.39) TPMTPKMFBP1L3MBTL1CA1
SCHEMBL10658977 0.71 GAA (0.41) FBP1L3MBTL1CA1CA2TDP1
SCHEMBL14207359 0.71 PPARA (0.42) TPMTL3MBTL1TDP1MAPTALDH1A1
SCHEMBL10656414 0.70 FBP1 (0.50) FBP1L3MBTL1CA1CA2TDP1

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-0507576-A1 Polypropylene-based resin compositions TOSOH CORPORATION (JP) 1992-10-07 EP disclosed