SCHEMBL7438341

SCHEMBL7438341

CC(C)C[C@H](NC(=O)C(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.62
ECE1 P42892 1/20 0.62
CAPN1 P07384 2/20 0.60
CTSK P43235 3/20 0.60
PSMB1 P20618 1/20 0.57
CTSS P25774 2/20 0.56
CTSL P07711 1/20 0.56
CTSB P07858 1/20 0.56

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
SCHEMBL7438354 1.00 MME (0.62) MMEECE1CAPN1CTSKPSMB1
SCHEMBL7436684 0.96 MME (0.58) MMEECE1CAPN1CTSKPSMB1
SCHEMBL7427743 0.94 MME (0.56) MMEECE1CAPN1CTSKPSMB1
SCHEMBL10507914 0.93 CTSK (0.60) MMEECE1CAPN1CTSKPSMB1
SCHEMBL7436209 0.93 CTSK (0.62) MMEECE1CAPN1CTSKCTSS
SCHEMBL9509483 0.93 MME (0.55) MMEECE1CAPN1CTSKPSMB1
SCHEMBL9510605 0.93 MME (0.55) MMEECE1CAPN1CTSKPSMB1
SCHEMBL7436214 0.93 CTSK (0.62) MMEECE1CAPN1CTSKCTSS
SCHEMBL7430795 0.92 MME (0.54) MMEECE1CAPN1CTSKPSMB1
SCHEMBL11173437 0.91 CAPN1 (0.61) CAPN1CTSKPSMB1CTSSCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4453003-A ENZYME INHIBITORS, ANTIINFLAMMATORY AGENTS UMEZAWA HAMAO (JP) 1984-06-05 US disclosed
US-4391986-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediates therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1983-07-05 US disclosed
US-4281180-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediated therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1981-07-28 US disclosed