SCHEMBL1228290

SCHEMBL1228290

CC(C)CC(N)C(O)CC=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 7/20 0.38
DNPEP Q9ULA0 1/20 0.38
SLC7A5 Q01650 1/20 0.37
LAP3 P28838 5/20 0.35
ERAP1 Q9NZ08 2/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL13858964 1.00 ANPEP (0.38) ANPEPDNPEPSLC7A5LAP3ERAP1
SCHEMBL7440987 0.78 TSHR (0.35) ANPEPDNPEPSLC7A5LAP3ERAP1
SCHEMBL1784326 0.77 RNPEP (0.30) SLC7A5
Hydrochloric Acid SCHEMBL7441258 0.77 GMNN (0.35) ANPEPDNPEPSLC7A5LAP3ERAP1
SCHEMBL10893754 0.76 TSHR (0.45) ANPEPDNPEPSLC7A5LAP3ERAP1
SCHEMBL10714554 0.73 ANPEP (0.40) ANPEPDNPEPSLC7A5LAP3ERAP1
SCHEMBL30685387 0.73 TRPV1 (0.31)
SCHEMBL6242953 0.73 ANPEP (0.40) ANPEPDNPEPSLC7A5LAP3ERAP1
SCHEMBL20177448 0.73 ANPEP (0.40) ANPEPDNPEPSLC7A5LAP3ERAP1
SCHEMBL10051070 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4070458-A MICRBIAL ENZYME SANRAKU-OCEAN CO., LTD. (JA) 1978-01-24 US claimed
EP-2459229-A1 USE OF CONSTRAINED DIPEPTIDE AND TRIPEPTIDE MIMIC OLIGOMERS AS VECTORIZATION AGENTS Centre National de la Recherche Scientifique (C.N.R.S.) (FR) 2012-06-06 EP disclosed
WO-2011012729-A1 USE OF CONSTRAINED DIPEPTIDE AND TRIPEPTIDE MIMIC OLIGOMERS AS VECTORIZATION AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2011-02-03 WO disclosed
US-4863903-A RENIN ENZYME INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1989-09-05 US disclosed
US-4719288-A HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1988-01-12 US disclosed
US-4613676-A PEPTIDES CIBA-GEIGY CORPORATION (US) 1986-09-23 US disclosed
EP-0143746-A2 5-Amino 4-hydroxy-valeryl-substituted derivatives CIBA-GEIGY AG (CH) 1985-06-05 EP disclosed