SCHEMBL9339596

SCHEMBL9339596

CC(=O)CC(=O)Nc1cccc(OC(=O)O)c1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
KDM4E B2RXH2 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
HIF1A Q16665 1/20 0.55
RAB9A P51151 5/20 0.55
NPC1 O15118 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 2/20 0.54
USP2 O75604 1/20 0.52
HTT P42858 2/20 0.51
MAPK1 P28482 2/20 0.51
MITF O75030 1/20 0.51
POLB P06746 1/20 0.51
TP53 P04637 1/20 0.50
HPGD P15428 3/20 0.49
AHR P35869 1/20 0.48

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
SCHEMBL31570065 0.92 MEN1 (0.64) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL11679930 0.92 MEN1 (0.64) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL11680231 0.85 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL4544119 0.85 MEN1 (0.55) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL11681769 0.85 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL3470179 0.84 MEN1 (0.69) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL11682507 0.84 MEN1 (0.51) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL11296531 0.84 KMT2A (0.49) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL11680858 0.83 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL11547327 0.82 HTT (0.68) ALDH1A1MEN1KMT2AKDM4ECYP1A2

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-0263951-B1 Disazo compounds and compositions containing them BASF LACKE & FARBEN (DE) 1994-06-15 EP claimed