SCHEMBL11074185

SCHEMBL11074185

CC(=O)OCC(=Cc1cccc(Cl)c1)[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 4/20 0.55
GLO1 Q04760 2/20 0.41
NPC1 O15118 1/20 0.41
HSP90AA1 P07900 1/20 0.41
RAB9A P51151 1/20 0.41
AKR1C3 P42330 1/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
PTGS2 P35354 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
CACNA1B Q00975 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
SCHEMBL11076206 0.85 FBP1 (0.53) FBP1GLO1AKR1C3KMT2AKDM4E
SCHEMBL11080235 0.84 FBP1 (0.50) FBP1NPC1RAB9AKMT2AALDH1A1
SCHEMBL11071114 0.84 FBP1 (0.54) FBP1GLO1AKR1C3KMT2AALDH1A1
SCHEMBL9997815 0.81 CACNA1B (0.50) FBP1AKR1C3KMT2AKDM4EALDH1A1
SCHEMBL9997812 0.81 CACNA1B (0.50) FBP1AKR1C3KMT2AKDM4EALDH1A1
SCHEMBL9998221 0.80 FBP1 (0.44) FBP1AKR1C3KMT2AKDM4EALDH1A1
SCHEMBL11070263 0.80 HPGD (0.47) NPC1HSP90AA1KMT2AALDH1A1LMNA
SCHEMBL9997505 0.77 PTGS2 (0.44) FBP1AKR1C3KMT2AKDM4EALDH1A1
SCHEMBL9997501 0.77 PTGS2 (0.44) FBP1AKR1C3KMT2AKDM4EALDH1A1
SCHEMBL11072474 0.77 GAA (0.52) NPC1RAB9AALDH1A1LMNAPKM

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
US-4469703-A FUNGICIDES EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1984-09-04 US disclosed