SCHEMBL10779221

SCHEMBL10779221

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.49
KDM4E B2RXH2 2/20 0.41
APAF1 O14727 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BRD4 O60885 1/20 0.40
SRC P12931 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 2/20 0.38
NOTUM Q6P988 1/20 0.38
HTT P42858 1/20 0.38
MMP2 P08253 1/20 0.38
ADAM17 P78536 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
GFER P55789 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 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
SCHEMBL17756314 0.86 CSNK2A1 (0.47) CSNK2A1KDM4EBRD4MEN1KMT2A
SCHEMBL14722945 0.86 CSNK2A1 (0.47) CSNK2A1KDM4EBRD4SRCMEN1
SCHEMBL24899418 0.83 MEN1 (0.45) CSNK2A1KDM4EAPAF1POLBMAPT
SCHEMBL17301179 0.83 MEN1 (0.45) CSNK2A1KDM4EAPAF1POLBMAPT
SCHEMBL23269328 0.81 CSNK2A1 (0.46) CSNK2A1KDM4EPOLBBRD4SRC
SCHEMBL24915820 0.80 KDM4E (0.41) CSNK2A1KDM4EAPAF1POLBMAPT
SCHEMBL15931768 0.80 FFAR4 (0.41) CSNK2A1KDM4EAPAF1POLBMAPT
SCHEMBL14723102 0.80 FOLH1 (0.43) CSNK2A1KDM4EPOLBBRD4MEN1
SCHEMBL30388279 0.79 CSNK2A1 (0.50) CSNK2A1KDM4EPOLBBRD4SRC
SCHEMBL4135507 0.79 CSNK2A1 (0.50) CSNK2A1KDM4EPOLBBRD4SRC

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
US-4656214-A DIESTERS EXXON RESEARCH & ENGINEERING CO. (US) 1987-04-07 US disclosed