SCHEMBL9851113

SCHEMBL9851113

C=C(C)C(=O)OC(Cc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 6/20 0.43
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
SLC7A5 Q01650 1/20 0.39
ALPL P05186 1/20 0.39
POLB P06746 1/20 0.39
ALPG P10696 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL28465583 0.82 CPA1 (0.47) CPA1NPC1TP53RAB9ASMN1; SMN2
SCHEMBL5682403 0.79 CPA1 (0.47) CPA1ALPIPKMPTGS1XIAP
SCHEMBL3681972 0.79 LMNA (0.47) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL964645 0.77 ALPI (0.44) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL11682166 0.77 ALDH1A1 (0.44) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1130098 0.76 MTNR1A (0.45) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL3292417 0.76 ALPI (0.51) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL490895 0.75 CPA1 (0.45) CPA1ALPLPOLBALPG
SCHEMBL27732058 0.75 TSHR (0.37)
SCHEMBL28199415 0.75 CTSK (0.51) ALPIPKMPTGS1XIAPSLC7A5

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-0406849-A2 Electron-conductive high polymer and electroconductive material having the same Fuji Photo Film Co., Ltd. (JP) 1991-01-09 EP disclosed