SCHEMBL4575636

SCHEMBL4575636

O=C(O)C(C1=CC=Cc2ccccc2O1)C1=CC=Cc2ccccc2O1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
CASP6 P55212 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.32
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL988433 0.76 MEN1 (0.40) MEN1KMT2APOLBCASP6KDM4E
SCHEMBL11227328 0.73 KDM4E (0.35) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL11241786 0.73 KDM4E (0.35) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL5848189 0.73 TRPA1 (0.41) MEN1KMT2APOLBCASP6KDM4E
Acetic Acid SCHEMBL8221390 0.70 CA12 (0.35) MEN1KMT2APOLBCASP6KDM4E
SCHEMBL11259138 0.70 KDM4E (0.33) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL27976119 0.69 MEN1 (0.33) MEN1KMT2APOLBCASP6KDM4E
SCHEMBL28958626 0.66 KDM4E (0.40) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL29145632 0.66 KDM4E (0.40) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL10993098 0.66 KDM4E (0.48) MEN1KMT2AKDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101506141-A Methyl 2- (4-methoxycarbonylmethylphenoxymethyl) benzoate and process for producing the same SUMITOMO CHEMICAL CO (JP) 2009-08-12 CN disclosed
JP-2008074837-A METHOD FOR PRODUCING 2-(4-CARBOXYMETHYLPHENOXY METHYL)BENZOIC ACID COMPOUND AND DIBENZOOXEPINACETIC ACID COMPOUND SUMITOMO CHEMICAL CO LTD 2008-04-03 JP disclosed
WO-2008023810-A1 2-(4-METHOXYCARBONYLMETHYLPHENOXYMETHYL)BENZOIC ACID METHYL ESTER AND METHOD FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-02-28 WO disclosed