SCHEMBL10948828

SCHEMBL10948828

CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.51
MDM4 O15151 1/20 0.51
MDM2 Q00987 1/20 0.51
OPRD1 P41143 5/20 0.51
OPRM1 P35372 4/20 0.51
CTSL P07711 2/20 0.51
CTSB P07858 2/20 0.51
CTSS P25774 2/20 0.51
CTSK P43235 2/20 0.51
OPRK1 P41145 1/20 0.51
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
POLB P06746 1/20 0.49
BACE1 P56817 1/20 0.48
TYR P14679 1/20 0.48
ACE P12821 1/20 0.47

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
SCHEMBL11028843 0.95 TACR1 (0.55) TACR1CTSLCTSBCTSSCTSK
SCHEMBL13588071 0.91 MDM4 (0.61) MDM4MDM2OPRD1OPRM1CTSL
SCHEMBL28902023 0.91 MDM4 (0.61) MDM4MDM2OPRD1OPRM1CTSL
SCHEMBL19088181 0.89 OPRD1 (0.50) MDM4MDM2OPRD1OPRM1CTSL
SCHEMBL23983030 0.89 OPRD1 (0.52) TACR1MDM4MDM2OPRD1OPRM1
SCHEMBL24312089 0.89 OPRD1 (0.52) TACR1MDM4MDM2OPRD1OPRM1
SCHEMBL13588070 0.89 MME (0.56) OPRD1OPRM1CTSLCTSBCTSS
SCHEMBL19065177 0.89 MME (0.56) OPRD1OPRM1CTSLCTSBCTSS
SCHEMBL11199738 0.88 CTSL (0.62) TACR1CTSLCTSBCTSSCTSK
SCHEMBL28620426 0.87 MDM4 (0.52) MDM4MDM2OPRD1OPRM1CTSL

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4551272-A Derivatives of dipeptide and their use in determining the activity of carboxypeptidase A FUJIREBIO KABUSHIKI KAISHA (JP) 1985-11-05 US disclosed
EP-0150227-A1 Dipeptide derivatives and their use in determining the activity of carboxypeptidase A FUJIREBIO KABUSHIKI KAISHA also trading as FUJIREBIO INC. (JP) 1985-08-07 EP disclosed
US-4173563-A PEPTIDIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-11-06 US disclosed
US-4120853-A Esterification of carboxylic acids by contact with a phosphonium salt SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1978-10-17 US disclosed
US-4059603-A Esterification of carboxylic acids by contact with a phosphonium salt SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-11-22 US disclosed
US-3974219-A PREPARATION PEPTIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-08-10 US disclosed