SCHEMBL11041388

SCHEMBL11041388

CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)O.[Au]

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 11/20 0.59
LMNA P02545 2/20 0.59
ABCB11 O95342 2/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
USP2 O75604 1/20 0.55
CYP3A4 P08684 1/20 0.55
ALOX15 P16050 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
PDE3A Q14432 1/20 0.52
REN P00797 1/20 0.51

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
SCHEMBL4669888 0.99 ACE (0.60) ACELMNAABCB11MEN1KMT2A
SCHEMBL2897972 0.99 ACE (0.60) ACELMNAABCB11MEN1KMT2A
SCHEMBL497515 0.99 ACE (0.60) ACELMNAABCB11MEN1KMT2A
SCHEMBL28866775 0.99 ACE (0.60) ACELMNAABCB11MEN1KMT2A
SCHEMBL4669921 0.99 ACE (0.60) ACELMNAABCB11MEN1KMT2A
SCHEMBL4669890 0.99 ACE (0.60) ACELMNAABCB11MEN1KMT2A
SCHEMBL3369452 0.99 ACE (0.60) ACELMNAABCB11MEN1KMT2A
SCHEMBL1221172 0.99 ACE (0.60) ACELMNAABCB11MEN1KMT2A
SCHEMBL3780597 0.99 ACE (0.60) ACELMNAABCB11MEN1KMT2A
Hydrochloric Acid SCHEMBL7264173 0.97 ACE (0.59) ACELMNAABCB11MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4536501-A ANGIOTENSIN INHIBITOR DIURETIC, HYPOTENSIVE AGENT E. R. SQUIBB & SONS, INC. (US) 1985-08-20 US disclosed