SCHEMBL14601586

SCHEMBL14601586

CCOC(=O)/C=C/C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DBH P09172 1/20 0.53
KRAS P01116 2/20 0.51
RAB9A P51151 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.45
LMNA P02545 3/20 0.45
HTT P42858 3/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 6/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
TPMT P51580 1/20 0.44
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
ABCB1 P08183 1/20 0.42
TNFRSF1A P19438 1/20 0.42
TUBB1 Q9H4B7 1/20 0.41

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
SCHEMBL6986048 0.81 MAOB (0.56) DBHKRASLMNAHTTMAPT
SCHEMBL3492139 0.81 MAOB (0.56) DBHKRASLMNAHTTMAPT
SCHEMBL5512237 0.80 RAB9A (0.53) RAB9ALMNAHTTMAPTALDH1A1
SCHEMBL5512233 0.80 RAB9A (0.53) RAB9ALMNAHTTMAPTALDH1A1
SCHEMBL14601569 0.80 RAB9A (0.44) DBHKRASRAB9ALMNAHTT
SCHEMBL1447168 0.79 DBH (0.55) DBHKRASABCG2LMNAHTT
SCHEMBL1446863 0.79 MAPT (0.57) DBHKRASRAB9AABCG2LMNA
SCHEMBL1446864 0.79 MAPT (0.57) DBHKRASRAB9AABCG2LMNA
SCHEMBL14601582 0.78 ABCG2 (0.45) KRASABCG2LMNAMAPTGAA
SCHEMBL7372393 0.78 KMT2A (0.46) DBHLMNAHTTMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7161022-B2 Process for producing 4-phenyl-4-oxo-2-butenoic ester derivative FUJIFILM FINECHEMICALS CO., LTD. (JP) 2007-01-09 US disclosed
US-7161022-B2 Process for producing 4-phenyl-4-oxo-2-butenoic ester derivative FUJIFILM FINECHEMICALS CO., LTD. (JP) 2007-01-09 US disclosed