SCHEMBL11566786

SCHEMBL11566786

CCCC(OC(N)=O)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.46
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALOX5 P09917 1/20 0.40
METAP2 P50579 4/20 0.40
METAP1 P53582 4/20 0.40
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL11567917 0.91 KDM4E (0.49) AOC3ALDH1A1KMT2AKDM4EL3MBTL1
SCHEMBL8038236 0.82 AOC3 (0.40) AOC3KMT2AKDM4EL3MBTL1METAP2
SCHEMBL7187735 0.81 HPGD (0.52) AOC3ALDH1A1KDM4EL3MBTL1ALOX5
SCHEMBL28362791 0.79 PPARG (0.35)
SCHEMBL12335334 0.79 KDM4E (0.45) AOC3KMT2AKDM4EL3MBTL1CYP2C9
SCHEMBL17209569 0.77 ALOX5 (0.48) AOC3ALDH1A1KMT2AKDM4EALOX5
SCHEMBL4480225 0.77 AOC3 (0.59) AOC3ALDH1A1KMT2ACYP2C9CYP2C19
SCHEMBL8961331 0.77 ALOX5 (0.48) AOC3ALDH1A1KMT2AKDM4EALOX5
SCHEMBL8467415 0.77 ALOX5 (0.48) AOC3ALDH1A1KMT2AKDM4EALOX5
SCHEMBL9572588 0.77 AOC3 (0.44) AOC3ALDH1A1KMT2AL3MBTL1CYP2C9

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-4134977-A EXTRUDING PVC AND A SURFACE POROSITY CONTROL AGENT A. H. ROBINS COMPANY, INCORPORATED (US) 1979-01-16 US disclosed