SCHEMBL14479013

SCHEMBL14479013

COC(=O)[C@H](CC(C)C)NC(=O)CCC(CC(=O)c1ccccc1)NC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 17/20 0.49
▸ TAS1R1 Q7RTX1 17/20 0.49
▸ KMT2A Q03164 1/20 0.46
▸ BIRC2 Q13490 1/20 0.46

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
SCHEMBL14479014 0.89 TAS1R3 (0.46) TAS1R3TAS1R1BIRC2
SCHEMBL14479031 0.84 TAS1R3 (0.56) TAS1R3TAS1R1
SCHEMBL14479012 0.81 PRSS1 (0.53) TAS1R3TAS1R1
SCHEMBL10407750 0.81 TAS1R3 (0.68) TAS1R3TAS1R1
SCHEMBL6241209 0.81 TAS1R3 (0.68) TAS1R3TAS1R1
SCHEMBL14479005 0.73 TAS1R3 (0.58) TAS1R3TAS1R1BIRC2
SCHEMBL14479007 0.73 TAS1R3 (0.55) TAS1R3TAS1R1BIRC2
SCHEMBL26292321 0.72 TAS1R3 (0.53) TAS1R3TAS1R1BIRC2
SCHEMBL7320279 0.72 BIRC2 (0.76) KMT2ABIRC2
SCHEMBL16359991 0.72 TAS1R3 (0.52) TAS1R3TAS1R1

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-2013001120-A1 CHEMICAL PROCESS FOR THE SELECTIVE MODIFICATION OF PEPTIDES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2013-01-03 — — WO disclosed
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