SCHEMBL9822681

SCHEMBL9822681

CCC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.55
MME P08473 1/20 0.55
CPA1 P15085 1/20 0.55
ACE2 Q9BYF1 1/20 0.55
SLC7A5 Q01650 1/20 0.55
YARS1 P54577 2/20 0.53
ANPEP P15144 1/20 0.52
LNPEP Q9UIQ6 1/20 0.52
OPRD1 P41143 7/20 0.49
OPRM1 P35372 4/20 0.49
OPRK1 P41145 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49

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
SCHEMBL9822685 1.00 ACE (0.55) ACEMMECPA1ACE2SLC7A5
SCHEMBL11799017 1.00 ACE (0.55) ACEMMECPA1ACE2SLC7A5
SCHEMBL30974364 0.95 CTSD (0.54) ACEMMECPA1ACE2SLC7A5
SCHEMBL30714767 0.95 OPRD1 (0.53) ACEMMECPA1ACE2SLC7A5
SCHEMBL29822653 0.94 ACE (0.59) ACEMMECPA1ACE2SLC7A5
SCHEMBL29804710 0.92 ACE (0.54) ACEMMECPA1ACE2SLC7A5
SCHEMBL31193449 0.92 OPRD1 (0.52) ACEMMECPA1ACE2SLC7A5
SCHEMBL30272520 0.91 OPRD1 (0.58) ACEMMECPA1ACE2OPRD1
SCHEMBL30714772 0.90 OPRD1 (0.49) ACEMMECPA1ACE2YARS1
SCHEMBL3052108 0.89 CTSD (0.57) ACEMMECPA1ACE2SLC7A5

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-5036052-A Containing a dipeptide of tryptophan and alanine or lecine and no stabilizer; discoloration inhibition MORISHITA PHARMACEUTICAL CO., LTD. (JP) 1991-07-30 US disclosed
EP-0347890-A1 Amino acid nutrient compositions Roussel Morishita Co., Ltd. (JP) 1989-12-27 EP disclosed