SCHEMBL3672121

SCHEMBL3672121

COCCNCc1ccc(C#Cc2ccc(C(=O)NC(C(=O)NO)C(C)N)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.43
PPARG P37231 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL3013947 1.00 ACACB (0.43) ACACBPPARGL3MBTL1
SCHEMBL31646590 0.92 PPARG (0.52) ACACBPPARGL3MBTL1
SCHEMBL403780 0.91 ACACB (0.44) ACACBPPARGL3MBTL1
SCHEMBL13267298 0.91 PRKD1 (0.46) PPARGL3MBTL1
SCHEMBL13984575 0.89 ACACB (0.42) ACACB
SCHEMBL13245377 0.89 ACACB (0.42) ACACB
SCHEMBL15382495 0.89 ACACB (0.42) ACACB
SCHEMBL13984854 0.87 ACACB (0.45) ACACBPPARG
SCHEMBL18023408 0.87 ACACB (0.45) ACACBPPARG
SCHEMBL13245390 0.87 ACACB (0.45) ACACBPPARG

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-2170814-A2 ANTIBACTERIAL AGENTS Achaogen, Inc. (US) 2010-04-07 EP disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 WO disclosed