SCHEMBL7597823

SCHEMBL7597823

CC(C)(C)OC(=O)NC(Cc1cccc(Oc2ccc(Br)cn2)c1)C(=O)O.COCCCN

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.44
CTSK P43235 4/20 0.44
CTSB P07858 2/20 0.44
ITGB3 P05106 7/20 0.43
ITGA2B P08514 7/20 0.43
ACE P12821 2/20 0.43
PTPN1 P18031 4/20 0.43
GRN P28799 2/20 0.41
SORT1 Q99523 2/20 0.41
ITGB1 P05556 1/20 0.40
ITGAV P06756 1/20 0.40
ITGB5 P18084 1/20 0.40
CTSL P07711 1/20 0.39
PTPN22 Q9Y2R2 1/20 0.39
MME P08473 1/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38

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
SCHEMBL7440635 0.91 CTSS (0.52) CTSSCTSKCTSBITGB3ITGA2B
SCHEMBL7440638 0.91 CTSS (0.52) CTSSCTSKCTSBITGB3ITGA2B
SCHEMBL7593159 0.86 ACE (0.53) CTSSCTSKCTSBITGB3ITGA2B
SCHEMBL7273142 0.75 ACE (0.65) CTSSCTSKCTSBITGB3ITGA2B
SCHEMBL7273147 0.75 ACE (0.65) CTSSCTSKCTSBITGB3ITGA2B
SCHEMBL3554901 0.74 ACE (0.63) CTSSCTSKCTSBITGB3ITGA2B
SCHEMBL31407807 0.74 ACE (0.63) CTSSCTSKCTSBITGB3ITGA2B
SCHEMBL3554904 0.74 ACE (0.63) CTSSCTSKCTSBITGB3ITGA2B
SCHEMBL3821386 0.74 ACE (0.63) CTSSCTSKCTSBITGB3ITGA2B
SCHEMBL14232658 0.74 ITGB3 (0.62) CTSSCTSKCTSBITGB3ITGA2B

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