SCHEMBL7264251

SCHEMBL7264251

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.49
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.44
CYP2C19 P33261 1/20 0.44
KLK5 Q9Y337 1/20 0.41
PREP P48147 2/20 0.41
FAP Q12884 2/20 0.41
RAB9A P51151 1/20 0.40
MVD P53602 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
SCHEMBL1925210 0.95 ACE (0.53) ACEHSD17B10MEN1ALDH1A1TSHR
SCHEMBL1000948 0.95 ACE (0.53) ACEHSD17B10MEN1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL10976646 0.94 ACE (0.52) ACEHSD17B10MEN1ALDH1A1TSHR
SCHEMBL29843876 0.88 ACE (0.42) ACEHSD17B10MEN1ALDH1A1TSHR
SCHEMBL8352289 0.85 MEN1 (0.49) ACEHSD17B10MEN1ALDH1A1TSHR
SCHEMBL14979025 0.85 MEN1 (0.49) ACEHSD17B10MEN1ALDH1A1TSHR
SCHEMBL2744394 0.84 MEN1 (0.48) ACEMEN1ALDH1A1TSHRKMT2A
SCHEMBL14235217 0.84 KLK5 (0.53) ACEMEN1ALDH1A1TSHRKMT2A
SCHEMBL6468703 0.84 KLK5 (0.53) ACEMEN1ALDH1A1TSHRKMT2A
SCHEMBL3763934 0.84 MEN1 (0.48) ACEMEN1ALDH1A1TSHRKMT2A

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