SCHEMBL11025288

SCHEMBL11025288

CCOC(=O)C(CCCCN)N[C@@H](C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 2/20 0.48
▸ ACE P12821 5/20 0.45
▸ FOLH1 Q04609 1/20 0.41
▸ GSR P00390 1/20 0.40
▸ ANPEP P15144 1/20 0.39
▸ SLC6A5 Q9Y345 1/20 0.39
▸ RNPEP Q9H4A4 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ NOD1 Q9Y239 2/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL11025294 1.00 CPB2 (0.48) CPB2ACEFOLH1GSRANPEP
SCHEMBL9810178 0.95 ACE (0.43) CPB2ACEFOLH1CYP1A2NOD1
SCHEMBL9810181 0.95 ACE (0.43) CPB2ACEFOLH1CYP1A2NOD1
SCHEMBL7271367 0.86 ACE (0.57) ACENOD1KMT2A
SCHEMBL7271357 0.86 ACE (0.57) ACENOD1KMT2A
SCHEMBL9773243 0.86 ACE (0.57) ACENOD1KMT2A
SCHEMBL9702204 0.86 ACE (0.57) ACENOD1KMT2A
SCHEMBL9773222 0.86 ACE (0.57) ACENOD1KMT2A
SCHEMBL29741342 0.84 FOLH1 (0.51) CPB2ACEFOLH1GSRSLC6A5
SCHEMBL787393 0.84 FOLH1 (0.51) CPB2ACEFOLH1GSRSLC6A5

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
EP-0088350-B1 CARBOXYALKYL DIPEPTIDES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1985-02-20 — — EP disclosed
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