SCHEMBL9503483

SCHEMBL9503483

C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CBr)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.57
MME P08473 3/20 0.57
ANPEP P15144 1/20 0.56
ECE1 P42892 1/20 0.56
ACE P12821 8/20 0.53

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
SCHEMBL9502323 1.00 LTA4H (0.57) LTA4HMMEANPEPECE1ACE
SCHEMBL7318304 0.87 CTSL (0.65) LTA4HMMEANPEPECE1ACE
SCHEMBL28064932 0.86 LTA4H (0.57) LTA4HMMEANPEPECE1ACE
SCHEMBL9068539 0.86 MME (0.64) LTA4HMMEANPEPECE1ACE
SCHEMBL2555277 0.86 LTA4H (0.57) LTA4HMMEANPEPECE1ACE
SCHEMBL6303137 0.86 PSMB5 (0.67) LTA4HMMEANPEPECE1ACE
SCHEMBL9571896 0.84 CTSS (0.63) LTA4HMMEANPEPECE1ACE
SCHEMBL11113189 0.84 CTSS (0.63) LTA4HMMEANPEPECE1ACE
SCHEMBL30514280 0.84 MMP1 (0.61)
SCHEMBL9571894 0.84 CTSS (0.63) LTA4HMMEANPEPECE1ACE

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
US-5200426-A Preventing the growth or differentiation of common acute lymphoblastic leukemia antigen and human leukemia cells BOARD OF REGENTS, THE UNIVERSITY OF TEXAS (US) 1993-04-06 US disclosed