SCHEMBL28804161

SCHEMBL28804161

C=C(C)C(=O)ONC(=O)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.50
NR1H4 Q96RI1 1/20 0.50
MAPT P10636 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TAAR1 Q96RJ0 1/20 0.46
CA12 O43570 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
PKM P14618 2/20 0.44
HTT P42858 2/20 0.43
FAAH O00519 1/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL28804280 0.86 MAOA (0.51) NR1H4MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL28804386 0.86 RAB9A (0.50) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL28804345 0.85 SMN1; SMN2 (0.53) EPHX2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL28804383 0.81 KMT2A (0.61) CA12CA2CA9MEN1KMT2A
SCHEMBL28804153 0.81 RAB9A (0.39) MAPTNPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL28804289 0.81 TIMP3 (0.47) CA12CA2CA9KMT2ACA1
SCHEMBL3253715 0.77 POLB (0.53) EPHX2NR1H4MAPTNPC1RAB9A
SCHEMBL28804190 0.77 ALDH1A1 (0.48) MAPTNPC1RAB9ASMN1; SMN2CA12
SCHEMBL345555 0.76 RXFP1 (0.61) EPHX2NR1H4MAPTNPC1RAB9A
SCHEMBL28946875 0.76 EPHX2 (0.47) EPHX2NR1H4CA12CA2CA9

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
CN-109791361-B Positive lithographic printing plate precursor, method for producing same, and method for producing lithographic printing plate 富士胶片株式会社 2022-06-03 CN disclosed