SCHEMBL14601569

SCHEMBL14601569

CCOc1cc(C(=O)/C=C/C(=O)OC)cc([N+](=O)[O-])c1OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
POLB P06746 3/20 0.44
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 3/20 0.43
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.42
DBH P09172 1/20 0.42
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
ALOX12 P18054 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
SCHEMBL14601586 0.80 DBH (0.53) RAB9APOLBALDH1A1MAPTMEN1
SCHEMBL30283174 0.79 TPMT (0.55) POLBMAPTGAASMN1; SMN2HTT
SCHEMBL12190691 0.73 NPC1 (0.49) RAB9APOLBALDH1A1MAPTMEN1
SCHEMBL30360234 0.71 POLB (0.48) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL11120481 0.71 ALDH1A1 (0.47) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL11120482 0.71 ALDH1A1 (0.47) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL28977415 0.71 POLB (0.48) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL30283180 0.70 MAPT (0.50) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL28992151 0.70 MAPT (0.46) RAB9APOLBALDH1A1MAPTMEN1
SCHEMBL12190686 0.70 NPC1 (0.47) RAB9APOLBALDH1A1MAPTMEN1

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