SCHEMBL8588907

SCHEMBL8588907

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.55
PLAU P00749 1/20 0.55
PLAT P00750 1/20 0.55
MME P08473 2/20 0.55
ECE1 P42892 2/20 0.55
CASP3 P42574 2/20 0.54
CASP7 P55210 1/20 0.54
ITGB3 P05106 4/20 0.53
ITGA2B P08514 4/20 0.53
CA2 P00918 1/20 0.53
CA5A P35218 1/20 0.53
CTSD P07339 1/20 0.53
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
CTSS P25774 1/20 0.52
CTSK P43235 1/20 0.52
CAPN1 P07384 1/20 0.52

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
SCHEMBL25287172 0.93 ECE1 (0.61) MMEECE1CASP3CASP7CTSD
SCHEMBL3058668 0.93 ECE1 (0.61) MMEECE1CASP3CASP7CTSD
SCHEMBL8588834 0.93 ALDH1A1 (0.55) F2PLAUPLATCASP3CASP7
SCHEMBL28252140 0.91 ECE1 (0.64) MMEECE1CASP3CASP7CTSD
SCHEMBL8612642 0.91 ECE1 (0.64) MMEECE1CASP3CASP7CTSD
SCHEMBL6271137 0.90 CASP3 (0.64) MMEECE1CASP3CASP7CTSD
SCHEMBL8585984 0.89 ECE1 (0.57) MMEECE1CASP3CASP7CTSD
SCHEMBL8492505 0.88 MME (0.64) MMEECE1ITGB3ITGA2BCTSD
SCHEMBL8717685 0.87 ITGB3 (0.66) F2PLAUPLATMMEECE1
SCHEMBL7084689 0.87 ITGB3 (0.66) F2PLAUPLATMMEECE1

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
WO-1998038990-A1 METHOD OF TREATING TRAUMA ASSOCIATED WITH BRAIN, SPINAL CORD OR PERIPHERAL NERVE INJURY USING CARBOBENZYLOXY N-PROTECTED DI- AND TRIPEPTIDE PHENYLALANINALS HOECHST MARION ROUSSEL, INC. (US) 1998-09-11 WO disclosed