SCHEMBL7593159

SCHEMBL7593159

CC(C)(C)OC(=O)NC(Cc1cccc(Oc2ccccc2)c1)C(=O)O.COCCCN

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.53
MME P08473 1/20 0.51
CPA1 P15085 1/20 0.51
ACE2 Q9BYF1 1/20 0.51
PTPN1 P18031 1/20 0.49
SCN9A Q15858 1/20 0.49
ITGB3 P05106 7/20 0.48
ITGA2B P08514 7/20 0.48
CTSS P25774 6/20 0.48
CTSK P43235 5/20 0.48
CTSB P07858 4/20 0.48
ITGB1 P05556 1/20 0.46
ITGAV P06756 1/20 0.46
ITGB5 P18084 1/20 0.46
CTSL P07711 2/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45

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
SCHEMBL7273142 0.89 ACE (0.65) ACEMMECPA1ACE2PTPN1
SCHEMBL7273147 0.89 ACE (0.65) ACEMMECPA1ACE2PTPN1
SCHEMBL7597823 0.86 CTSS (0.44) ACEMMECPA1ACE2PTPN1
SCHEMBL3554901 0.81 ACE (0.63) ACEPTPN1ITGB3ITGA2BCTSS
SCHEMBL3554904 0.81 ACE (0.63) ACEPTPN1ITGB3ITGA2BCTSS
SCHEMBL3821386 0.81 ACE (0.63) ACEPTPN1ITGB3ITGA2BCTSS
SCHEMBL31407807 0.81 ACE (0.63) ACEPTPN1ITGB3ITGA2BCTSS
Putrescine SCHEMBL28493581 0.81 ACE (0.69) ACEPTPN1ITGB3ITGA2BCTSS
SCHEMBL3925152 0.79 ACE (0.65) ACEMMECPA1ACE2PTPN1
SCHEMBL3923929 0.79 ACE (0.65) ACEMMECPA1ACE2PTPN1

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
US-4873253-A Phenylalanine derivative and proteinase inhibitor Okamoto, Shosuke (JP) 1989-10-10 US disclosed
EP-0284632-A1 Phenylalanine derivative and proteinase inhibitor Okamoto, Shosuke (JP) 1988-10-05 EP disclosed