SCHEMBL7571192

SCHEMBL7571192

O=C(O)Oc1ccc(Cl)c(OC(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
MCL1 Q07820 1/20 0.39
KMO O15229 2/20 0.38
ELANE P08246 3/20 0.36
FFAR1 O14842 1/20 0.36
TSHR P16473 1/20 0.36
SRD5A2 P31213 1/20 0.36
ACHE P22303 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
LMNA P02545 1/20 0.35
CHRNA3 P32297 1/20 0.35
ABCB11 O95342 1/20 0.35

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
SCHEMBL29001439 0.82 KDM4E (0.61) KDM4EMAPTMAPK1ELANEACHE
SCHEMBL686585 0.81 KDM4E (0.48) KDM4EMAPTMAPK1ELANETSHR
SCHEMBL8722118 0.79 KDM4E (0.47) KDM4EMAPTMAPK1ELANEACHE
SCHEMBL11567274 0.78 CA12 (0.45) KDM4EMCL1KMOTSHRALDH1A1
SCHEMBL11194302 0.78 MAPT (0.45) KDM4EMAPTMAPK1FFAR1TSHR
SCHEMBL5678543 0.78 KDM4E (0.46) KDM4EMAPTMAPK1ELANETSHR
SCHEMBL7551541 0.78 KDM4E (0.46) KDM4EMAPTMAPK1ELANETSHR
SCHEMBL1551903 0.76 KDM4E (0.44) KDM4EMAPTMAPK1MCL1ELANE
SCHEMBL7618128 0.76 KDM4E (0.53) KDM4EMAPTMAPK1ELANEACHE
SCHEMBL27452735 0.76 KDM4E (0.53) KDM4EMAPTMAPK1TSHRACHE

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-1233045-A2 Bonding agent for improving the adhesion between rubbers and reinforcing elements Bayer Aktiengesellschaft (DE) 2002-08-21 EP disclosed