SCHEMBL7278943

SCHEMBL7278943

CCCC[C@H](NC(=O)[C@H](C)N(NC(=O)OCc1ccccc1)c1cccc2ccccc12)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.49
ECE1 P42892 1/20 0.49
CTSL P07711 1/20 0.48
CTSS P25774 1/20 0.48
SIRT2 Q8IXJ6 6/20 0.45
SIRT1 Q96EB6 5/20 0.45
CASP1 P29466 1/20 0.41
CPB1 P15086 1/20 0.41
CPB2 Q96IY4 1/20 0.41
FOLH1 Q04609 2/20 0.41
CTSK P43235 1/20 0.41
TGM2 P21980 1/20 0.41
SIRT3 Q9NTG7 3/20 0.40
ACE P12821 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 1/20 0.40

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
SCHEMBL7285371 0.85 MME (0.46) MMEECE1CTSLCTSSSIRT2
SCHEMBL7285383 0.85 MME (0.46) MMEECE1CTSLCTSSSIRT2
SCHEMBL7278952 0.78 CTSL (0.49) MMEECE1CTSLCTSSSIRT2
SCHEMBL11332452 0.76 CTSL (0.72) MMEECE1CTSLCTSSSIRT2
SCHEMBL4126228 0.76 CTSL (0.72) MMEECE1CTSLCTSSSIRT2
SCHEMBL150166 0.76 CTSL (0.72) MMEECE1CTSLCTSSSIRT2
Hydrochloric Acid SCHEMBL4438043 0.75 CTSL (0.70) MMEECE1CTSLCTSSSIRT2
SCHEMBL7279460 0.75 CTSL (0.46) MMEECE1CTSLCTSSSIRT2
SCHEMBL8744667 0.74 CTSK (0.68) MMEECE1CTSLCTSSCTSK
SCHEMBL8744665 0.74 CTSK (0.68) MMEECE1CTSLCTSSCTSK

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
EP-0272583-B1 5-SUBSTITUTED AMINO-4-HYDROXY-PENTENOIC ACID DERIVATIVES AND THEIR USE Banyu Pharmaceutical Co., Ltd. (JP) 1993-09-15 EP disclosed
US-4927565-A HYPOTENSIVE AGENT BANYU PHARMACEUTICAL CO., LTD. (JP) 1990-05-22 US disclosed
EP-0272583-A2 5-Substituted amino-4-hydroxy-pentenoic acid derivatives and their use Banyu Pharmaceutical Co., Ltd. (JP) 1988-06-29 EP disclosed