SCHEMBL6901292

SCHEMBL6901292

CC(=O)c1cc(C(C)=O)c(O)c(C)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
NSD2 O96028 1/20 0.44
POLB P06746 1/20 0.44
MCL1 Q07820 1/20 0.44
CYP3A4 P08684 3/20 0.38
HTT P42858 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA5A P35218 1/20 0.36
HPGD P15428 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.34
ALOX15 P16050 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
SCHEMBL13912812 0.84 MEN1 (0.47) SMN1; SMN2MEN1KMT2AKDM4EMAPT
SCHEMBL13080819 0.84 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2AKDM4EMAPT
SCHEMBL4466762 0.84 MEN1 (0.52) SMN1; SMN2MEN1KMT2AKDM4EMAPT
SCHEMBL14753933 0.80 MEN1 (0.40) SMN1; SMN2MEN1KMT2AKDM4EMAPT
SCHEMBL12178198 0.79 MEN1 (0.52) SMN1; SMN2MEN1KMT2AKDM4EMAPT
SCHEMBL30931542 0.79 MEN1 (0.42) SMN1; SMN2MEN1KMT2AKDM4EMAPT
SCHEMBL30931541 0.79 MEN1 (0.42) SMN1; SMN2MEN1KMT2AKDM4EMAPT
SCHEMBL4472816 0.76 POLB (0.45) SMN1; SMN2MEN1KMT2AKDM4EMAPT
SCHEMBL910132 0.75 KDM4E (0.47) SMN1; SMN2MEN1KMT2AKDM4EMAPT
SCHEMBL8051907 0.74 MEN1 (0.45) SMN1; SMN2MEN1KMT2AKDM4EMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1252031-C Method for preparing monoacylated hydroquinone compound BASF AG (DE) 2006-04-19 CN disclosed
EP-1094056-B1 Process for the preparation of monoacetylated hydrochinone compounds BASF AG (DE) 2004-02-25 EP disclosed
US-6476253-B1 Process for preparing monoacetylated hydroquinone compounds BASF AKTIENGESELLSCHAFT (DE) 2002-11-05 US disclosed
EP-1094056-A1 Process for the preparation of monoacetylated hydrochinone compounds BASF AKTIENGESELLSCHAFT (DE) 2001-04-25 EP disclosed