SCHEMBL10658334

SCHEMBL10658334

CCOC(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 12/20 0.46
▸ LMNA P02545 2/20 0.46
▸ ACE2 Q9BYF1 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ REN P00797 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PEPD P12955 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ THPO P40225 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ HSD17B10 Q99714 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
SCHEMBL10656631 0.85 ALDH1A1 (0.49) ACELMNAACE2SMN1; SMN2
SCHEMBL10889619 0.82 TSHR (0.56) ACELMNAACE2RENKDM4E
SCHEMBL10656762 0.82 ACE (0.53) ACELMNAACE2SMN1; SMN2REN
SCHEMBL7412842 0.78 ACE (0.48) ACELMNAACE2SMN1; SMN2REN
SCHEMBL30051731 0.78 REN (0.47) ACELMNAACE2RENKDM4E
SCHEMBL7382443 0.78 ACE (0.48) ACELMNAACE2SMN1; SMN2REN
SCHEMBL7372855 0.78 ACE (0.48) ACELMNAACE2SMN1; SMN2REN
SCHEMBL7372850 0.78 ACE (0.48) ACELMNAACE2SMN1; SMN2REN
SCHEMBL10719498 0.78 KMT2A (0.49) ACELMNAACE2RENKDM4E
SCHEMBL10719504 0.78 KMT2A (0.49) ACELMNAACE2RENKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4719200-A Amino acid derivatives and antihypertensive drugs containing the same AJINOMOTO CO., INC. (JP) 1988-01-12 — — US disclosed
EP-0173510-A2 Tripeptide derivatives for use as anti-hypertensive agents AJINOMOTO CO., INC. (JP) 1986-03-05 — — EP disclosed
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