SCHEMBL14722945

SCHEMBL14722945

Cc1ccc(C(=O)O)c(CC(C)Cc2cc(C)ccc2C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.47
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
BRD4 O60885 1/20 0.39
MCL1 Q07820 2/20 0.39
ACE2 Q9BYF1 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
MAOB P27338 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL14723102 0.92 FOLH1 (0.43) CSNK2A1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL17756314 0.89 CSNK2A1 (0.47) CSNK2A1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL10779221 0.86 CSNK2A1 (0.49) CSNK2A1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL23269328 0.84 CSNK2A1 (0.46) CSNK2A1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4135507 0.81 CSNK2A1 (0.50) CSNK2A1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL30388279 0.81 CSNK2A1 (0.50) CSNK2A1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL1549076 0.81 CSNK2A1 (0.53) CSNK2A1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL8405167 0.81 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AKDM4EMCL1
SCHEMBL28151426 0.80 CSNK2A1 (0.39) CSNK2A1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL623349 0.79 CSNK2A1 (0.52) CSNK2A1ALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2751061-A1 UNSYMMETRICAL ALPHA, GAMMA-ALKYLENE-DI-P-TOLUATES, THE PRODUCTION THEREOF AND THEIR USE Invista Technologies S.a r.l. (CH) 2014-07-09 EP disclosed
WO-2013026918-A1 UNSYMMETRICAL Α,Γ-ALKYLENE-DI-P-TOLUATES, THE PRODUCTION THEREOF AND THEIR USE INVISTA TECHNOLOGIES S.À.R.L (CH) 2013-02-28 WO disclosed