SCHEMBL14745774

SCHEMBL14745774

CCc1c(-c2ccc3occc3c2)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2sccc2c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.33
KMO O15229 1/20 0.31
FABP4 P15090 2/20 0.30
FABP3 P05413 1/20 0.30
FABP5 Q01469 1/20 0.30

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
SCHEMBL17597159 1.00 CDC7 (0.33) CDC7KMOFABP4FABP3FABP5
SCHEMBL17597160 0.91
SCHEMBL14745775 0.87 CDC7 (0.31) CDC7
SCHEMBL17597161 0.85
SCHEMBL14741211 0.84 CA2 (0.38) CDC7
SCHEMBL14741298 0.84 KMO (0.40) KMOFABP4FABP3FABP5
SCHEMBL14740909 0.82 CDC7 (0.41) CDC7
SCHEMBL14740945 0.82 KMO (0.43) KMOFABP4FABP3FABP5
SCHEMBL14757834 0.75 CA2 (0.38) CDC7
SCHEMBL16446975 0.75 CA2 (0.38) KMO

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-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP claimed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO claimed