SCHEMBL10355433

SCHEMBL10355433

CC(C)C[C@H](N)[C@H](O)C(F)(F)[C]=O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 5/20 0.35
DNPEP Q9ULA0 1/20 0.35
SLC7A5 Q01650 1/20 0.33
LAP3 P28838 2/20 0.32
ERAP1 Q9NZ08 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL10354928 1.00 ANPEP (0.35) ANPEPDNPEPSLC7A5LAP3ERAP1
SCHEMBL18774945 0.77 TSHR (0.38) ANPEPDNPEPSLC7A5LAP3ERAP1
SCHEMBL18774942 0.77 TSHR (0.38) ANPEPDNPEPSLC7A5LAP3ERAP1
Hydrochloric Acid SCHEMBL8054309 0.75 TSHR (0.36) ANPEPDNPEPSLC7A5LAP3ERAP1
SCHEMBL2953547 0.74 TSHR (0.39) ANPEPDNPEPSLC7A5LAP3ERAP1
SCHEMBL7362079 0.73 SLC7A5 (0.42) ANPEPDNPEPSLC7A5LAP3ERAP1
SCHEMBL7362077 0.73 SLC7A5 (0.42) ANPEPDNPEPSLC7A5LAP3ERAP1
SCHEMBL7337830 0.72 ANPEP (0.33) ANPEPDNPEPSLC7A5LAP3ERAP1
SCHEMBL10695575 0.72 ANPEP (0.37) ANPEPDNPEPSLC7A5LAP3ERAP1
SCHEMBL7270284 0.71 ANPEP (0.33) ANPEPDNPEPSLC7A5ALDH1A1TSHR

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
EP-0218688-B1 DIHALO-STATINE SUBSTITUTED RENIN INHIBITORS THE UPJOHN COMPANY (US) 1990-09-12 EP disclosed
US-4882420-A HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS THE UPJOHN COMPANY (US) 1989-11-21 US disclosed