SCHEMBL14679232

SCHEMBL14679232

CCC(=O)OCc1ccc(NC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)C(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SSTR3 P32745 1/20 0.53
▸ ECE1 P42892 1/20 0.45
▸ CPB1 P15086 1/20 0.45
▸ CPB2 Q96IY4 1/20 0.45
▸ CCKBR P32239 1/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ FPR2 P25090 1/20 0.43
▸ SIRT2 Q8IXJ6 2/20 0.42
▸ SIRT1 Q96EB6 2/20 0.42
▸ LTA4H P09960 1/20 0.42
▸ CALCRL Q16602 1/20 0.42
▸ SIRT3 Q9NTG7 1/20 0.42
▸ ITGB3 P05106 4/20 0.42
▸ ITGA2B P08514 4/20 0.42
▸ CTSL P07711 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
SCHEMBL14679233 0.91 SSTR3 (0.55) SSTR3ECE1CPB1CPB2CCKBR
SCHEMBL13073327 0.87 SSTR3 (0.53) SSTR3ECE1CPB1CPB2CA12
SCHEMBL24450956 0.85 SSTR3 (0.57) SSTR3ECE1SIRT2SIRT1LTA4H
SCHEMBL21474554 0.84 SSTR3 (0.55) SSTR3ECE1CPB1CPB2SIRT2
SCHEMBL24472056 0.79 SSTR3 (0.55) SSTR3ECE1SIRT2SIRT1LTA4H
SCHEMBL22030524 0.78 SSTR3 (0.49) SSTR3CALCRL
SCHEMBL14821040 0.77 SSTR3 (0.55) SSTR3ECE1SIRT2SIRT1LTA4H
SCHEMBL18494988 0.77 SSTR3 (0.55) SSTR3ECE1SIRT2SIRT1LTA4H
SCHEMBL14872058 0.77 SSTR3 (0.55) SSTR3ECE1SIRT2SIRT1LTA4H
SCHEMBL17706674 0.77 SSTR3 (0.55) SSTR3ECE1SIRT2SIRT1LTA4H

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
US-8367065-B2 Targeted polymeric prodrugs containing multifunctional linkers ENZON PHARMACEUTICALS, INC. (US) 2013-02-05 — — US disclosed
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