SCHEMBL14723102

SCHEMBL14723102

Cc1ccc(C(=O)O)c(CC(C)Cc2ccccc2C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.43
POLB P06746 2/20 0.42
AKR1C3 P42330 1/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CSNK2A1 P68400 1/20 0.41
SLC16A3 O15427 1/20 0.40
BRD4 O60885 1/20 0.40
TSHR P16473 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
DCLRE1A Q6PJP8 1/20 0.39
DCLRE1B Q9H816 1/20 0.39

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
SCHEMBL14722945 0.92 CSNK2A1 (0.47) HTTKDM4ECSNK2A1BRD4MEN1
SCHEMBL17756314 0.82 CSNK2A1 (0.47) HTTKDM4ECSNK2A1BRD4MEN1
SCHEMBL21829032 0.81 FOLH1 (0.48) FOLH1TSHRMEN1ALDH1A1KMT2A
SCHEMBL10779221 0.80 CSNK2A1 (0.49) POLBHTTKDM4ECSNK2A1BRD4
SCHEMBL9724906 0.79 FOLH1 (0.49) FOLH1POLBHTTKDM4ETSHR
SCHEMBL7758673 0.79 FOLH1 (0.49) FOLH1HTTTSHRALDH1A1
SCHEMBL9724910 0.79 FOLH1 (0.49) FOLH1POLBHTTKDM4ETSHR
SCHEMBL23269328 0.78 CSNK2A1 (0.46) POLBHTTKDM4ECSNK2A1BRD4
SCHEMBL15543860 0.78 FOLH1 (0.48) FOLH1HTTKDM4ETSHRALDH1A1
SCHEMBL5819855 0.78 FOLH1 (0.48) FOLH1HTTTSHRALDH1A1

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