SCHEMBL7440635

SCHEMBL7440635

CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Oc2ccc(Br)cn2)c1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.52
CTSK P43235 6/20 0.52
CTSB P07858 4/20 0.52
ACE P12821 2/20 0.51
PTPN1 P18031 3/20 0.47
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
GRN P28799 2/20 0.46
SORT1 Q99523 2/20 0.46
CTSL P07711 2/20 0.45
MME P08473 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
SCN9A Q15858 1/20 0.43
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGAV P06756 1/20 0.42
ITGB5 P18084 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
SCHEMBL7440638 1.00 CTSS (0.52) CTSSCTSKCTSBACEPTPN1
SCHEMBL7597823 0.91 CTSS (0.44) CTSSCTSKCTSBACEPTPN1
SCHEMBL7273142 0.83 ACE (0.65) CTSSCTSKCTSBACEPTPN1
SCHEMBL7273147 0.83 ACE (0.65) CTSSCTSKCTSBACEPTPN1
SCHEMBL2333358 0.80 CTSS (0.74) CTSSCTSKCTSBACEPTPN1
SCHEMBL30829402 0.80 CTSS (0.74) CTSSCTSKCTSBACEPTPN1
SCHEMBL30655726 0.80 CTSS (0.74) CTSSCTSKCTSBACEPTPN1
SCHEMBL29758057 0.80 CTSS (0.74) CTSSCTSKCTSBACEPTPN1
SCHEMBL3553426 0.80 CTSS (0.74) CTSSCTSKCTSBACEPTPN1
SCHEMBL1073538 0.80 CTSS (0.74) CTSSCTSKCTSBACEPTPN1

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