SCHEMBL8094320

SCHEMBL8094320

CC(C)C(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
GSR P00390 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
TAAR1 Q96RJ0 3/20 0.38
NPC1 O15118 1/20 0.37
ADAM17 P78536 1/20 0.37
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
AOC3 Q16853 1/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2C P18825 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL6281430 0.86 LMNA (0.46) KMT2AKDM4EMAPTNPSR1TDP1
SCHEMBL28046604 0.83 LMNA (0.41) KMT2AKDM4EMAPTNPSR1TDP1
SCHEMBL28497474 0.81 GSR (0.42) KMT2AKDM4EMAPTNPSR1TDP1
SCHEMBL1828130 0.80 ALDH1A1 (0.41) KMT2AKDM4EMAPTNPSR1TDP1
SCHEMBL18193017 0.78 GSR (0.43) KMT2AALDH1A1LMNAGSRNPC1
SCHEMBL264411 0.77 KDM4E (0.45) KMT2AKDM4EMAPTNPSR1TDP1
SCHEMBL20680909 0.77 KDM4E (0.45) KMT2AKDM4EMAPTNPSR1TDP1
SCHEMBL9617913 0.75 SRC (0.45) KMT2AALDH1A1LMNAGSRMEN1
SCHEMBL11743677 0.74 KMT2A (0.50) KMT2AKDM4EMAPTNPSR1TDP1
SCHEMBL4751040 0.74 KDM4E (0.42) KMT2AKDM4EMAPTNPSR1TDP1

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-1053990-A2 A method of producing an aromatic ketone and an aromatic ketone composition containing it TORAY INDUSTRIES, INC. (JP) 2000-11-22 EP disclosed