SCHEMBL15375666

SCHEMBL15375666

CCOCCc1ccc(C#Cc2ccc(C(=O)N[C@H](C(=O)OC)[C@@H](C)NC(=O)OCC3c4ccccc4-c4ccccc43)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.39
KMT2A Q03164 1/20 0.37
TLR2 O60603 4/20 0.36
CASP3 P42574 2/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
PIN1 Q13526 1/20 0.36

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
SCHEMBL15375667 1.00 ACACB (0.39) ACACBKMT2ATLR2CASP3TAS1R3
SCHEMBL3018189 0.92 ACACB (0.40) ACACBKMT2ATLR2CASP3PIN1
SCHEMBL3018006 0.88 KMT2A (0.40) ACACBKMT2ACASP3PIN1
SCHEMBL3012552 0.88 CASP3 (0.43) KMT2ACASP3PIN1
SCHEMBL3802721 0.88 KMT2A (0.44) ACACBKMT2ATLR2CASP3PIN1
SCHEMBL3015812 0.88 KMT2A (0.44) ACACBKMT2ATLR2CASP3PIN1
SCHEMBL3018948 0.86 KMT2A (0.43) KMT2ACASP3PIN1
SCHEMBL3808020 0.86 KMT2A (0.43) KMT2ACASP3PIN1
SCHEMBL15375665 0.85 KMT2A (0.38) ACACBKMT2ATLR2CASP3PIN1
SCHEMBL13984775 0.84 CASP3 (0.41) KMT2ACASP3PIN1

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
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 EP disclosed