SCHEMBL8023768

SCHEMBL8023768

CSCC[C@H](NC(C[C@H](N)C(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.43
FNTB P49356 4/20 0.43
PGGT1B P53609 1/20 0.43
LMNA P02545 2/20 0.42
RNPEP Q9H4A4 1/20 0.42
SLC7A5 Q01650 1/20 0.41
FOLH1 Q04609 1/20 0.41
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GRIK1 P39086 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
GRIK2 Q13002 1/20 0.40
PKM P14618 1/20 0.39

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
SCHEMBL8928051 0.86 RNPEP (0.54) LMNARNPEPFOLH1CA2CA1
SCHEMBL5869722 0.83 FOLH1 (0.58) LMNARNPEPFOLH1ALDH1A1NPSR1
SCHEMBL8248682 0.83 FOLH1 (0.58) LMNARNPEPFOLH1ALDH1A1NPSR1
SCHEMBL5869735 0.79 RNPEP (0.47) LMNARNPEPFOLH1CA2CA1
SCHEMBL8255152 0.79 RNPEP (0.47) LMNARNPEPFOLH1CA2CA1
SCHEMBL5870088 0.79 RNPEP (0.47) LMNARNPEPFOLH1CA2CA1
SCHEMBL8255575 0.79 RNPEP (0.47) LMNARNPEPFOLH1CA2CA1
Racemethionine SCHEMBL28667932 0.78 FNTA (0.47) FNTAFNTBPGGT1BLMNARNPEP
SCHEMBL9911535 0.77 LMNA (0.51) LMNARNPEPFOLH1CA2CA1
SCHEMBL15592739 0.77 LMNA (0.51) LMNARNPEPFOLH1CA2CA1

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
EP-0972074-A1 A METHOD FOR IDENTIFYING THE SITE OF ACTION OF XENOBIOTIC CHEMICALS E.I. DU PONT DE NEMOURS & COMPANY INCORPORATED (US) 2000-01-19 EP disclosed
WO-1998038336-A1 A METHOD FOR IDENTIFYING THE SITE OF ACTION OF XENOBIOTIC CHEMICALS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-09-03 WO disclosed