SCHEMBL7265463

SCHEMBL7265463

CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 12/20 0.54
CTSL P07711 1/20 0.50
KLK5 Q9Y337 1/20 0.49
FKBP1A P62942 2/20 0.49
ACE P12821 1/20 0.49
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL8365035 0.97 CMA1 (0.56) CMA1CTSLKLK5FKBP1AACE
SCHEMBL7336587 0.97 CMA1 (0.56) CMA1CTSLKLK5FKBP1AACE
SCHEMBL7336591 0.97 CMA1 (0.56) CMA1CTSLKLK5FKBP1AACE
SCHEMBL31185247 0.90 CMA1 (0.52) CMA1CTSLKLK5FKBP1AACE
SCHEMBL7265619 0.90 PREP (0.57) CMA1CTSLKLK5FKBP1AACE
SCHEMBL8366717 0.89 CMA1 (0.65) CMA1CTSLKLK5FKBP1A
SCHEMBL7305436 0.89 CMA1 (0.65) CMA1CTSLKLK5FKBP1A
SCHEMBL8366866 0.89 CMA1 (0.51) CMA1CTSLKLK5FKBP1AACE
SCHEMBL11869876 0.88 CYP3A4 (0.61) CTSLFKBP1AACEKMT2AALDH1A1
SCHEMBL11869863 0.88 CYP3A4 (0.61) CTSLFKBP1AACEKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4590178-A DIURETICS AJINOMOTO COMPANY, INCORPORATED (JP) 1986-05-20 US disclosed
US-4536395-A DIPEPTIDES AJINOMOTO CO., INC. (JP) 1985-08-20 US disclosed
US-4472381-A Amino acid derivatives, methods of preparing said derivatives and antihypertensive drugs containing them AJINOMOTO COMPANY INCORPORATED (JP) 1984-09-18 US disclosed
EP-0085488-A2 Amino acid derivatives and antihypertensive drugs containing them AJINOMOTO CO., INC. (JP) 1983-08-10 EP disclosed