SCHEMBL6510345

SCHEMBL6510345

Cc1ccc(Cl)c(CN(CCC(=O)O)Cc2ccc3ccccc3c2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
CYP1A2 P05177 1/20 0.44
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
BCHE P06276 3/20 0.41
MC4R P32245 3/20 0.41
MC5R P33032 2/20 0.41
MC1R Q01726 2/20 0.41
MC3R P41968 2/20 0.41
PDPK1 O15530 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
SCHEMBL6510780 0.84 TSHR (0.49) FFAR1FFAR4
SCHEMBL6510100 0.84 FFAR1 (0.41) FFAR1FFAR4
SCHEMBL6513398 0.82 KMT2A (0.44) FFAR1FFAR4
SCHEMBL6510314 0.81 HPGD (0.40) FFAR1FFAR4
SCHEMBL6509333 0.80 FFAR1 (0.46) FFAR1FFAR4
SCHEMBL6533664 0.79 MEN1 (0.51) CYP1A2FFAR1FFAR4
SCHEMBL6511174 0.79 FFAR1 (0.43) FFAR1FFAR4BCHE
SCHEMBL6510695 0.78 FFAR1 (0.43) FFAR1FFAR4
SCHEMBL6511699 0.78 FFAR1 (0.43) FFAR1FFAR4
SCHEMBL6511036 0.78 PPARA (0.42) FFAR1FFAR4

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
WO-2005097100-A2 ANTIBACTERIAL AGENTS PROLYSIS LTD. (GB) 2005-10-20 WO disclosed