SCHEMBL7294083

SCHEMBL7294083

COc1ccc(N[C@@](CCC(=O)O)(NC(=O)C(CS)Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.48
MME P08473 5/20 0.47
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
ECE1 P42892 1/20 0.44
BLM P54132 1/20 0.44
NPEPPS P55786 1/20 0.44
FFAR1 O14842 1/20 0.42

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
SCHEMBL7294088 1.00 ACE (0.48) ACEMMEALDH1A1KMT2AHPGD
SCHEMBL7293059 0.96 ACE (0.48) ACEMMEALDH1A1KMT2AHPGD
SCHEMBL7293054 0.96 ACE (0.48) ACEMMEALDH1A1KMT2AHPGD
SCHEMBL7375555 0.92 ACE (0.46) ACEMMEALDH1A1KMT2AHPGD
SCHEMBL7282391 0.90 ACE (0.49) ACEMMEALDH1A1KMT2AHPGD
SCHEMBL7282410 0.90 ACE (0.49) ACEMMEALDH1A1KMT2AHPGD
SCHEMBL7290234 0.90 MME (0.55) ACEMMEALDH1A1KMT2AHPGD
SCHEMBL7291854 0.90 MME (0.55) ACEMMEALDH1A1KMT2AHPGD
SCHEMBL7290676 0.90 MME (0.55) ACEMMEALDH1A1KMT2AHPGD
SCHEMBL9813914 0.90 MME (0.55) ACEMMEALDH1A1KMT2AHPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0341081-B1 Novel amino acid derivatives ONO PHARMACEUTICAL CO (JP) 1995-07-05 EP claimed
EP-0341081-A2 Novel amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1989-11-08 EP claimed
US-5317021-A Analgesics, anticonvulsants ONO PHARMACEUTICAL CO., LTD. (JP) 1994-05-31 US disclosed
US-5202340-A Analgesics, anticonvulsants, anxiolytic agents, inhibitors for enkephalinases ONO PHARMACEUTICAL CO., LTD. (JP) 1993-04-13 US disclosed
US-5017589-A Analgesic, antianxiety, anticonvulsant ONO PHARMACEUTICAL CO., LTD. (JP) 1991-05-21 US disclosed