SCHEMBL10880717

SCHEMBL10880717

CCOC(=O)[C@H](C)N[C@@H](C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ALDH1A1 P00352 2/20 0.39
METAP2 P50579 8/20 0.38
METAP1 P53582 6/20 0.38
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ELANE P08246 1/20 0.36
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
MMP8 P22894 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL27869893 1.00 MGAM (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL10882828 1.00 MGAM (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL10970199 1.00 MGAM (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL11185813 0.91 MGAM (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL805116 0.82 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4680662 0.82 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL10204950 0.82 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL804999 0.79
SCHEMBL864303 0.79
SCHEMBL805100 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0061768-B1 N-AMIDO SUBSTITUTED DIPEPTIDES USV PHARMACEUTICAL CORPORATION (US) 1986-05-14 EP disclosed
US-4558038-A HYPOTENSIVE AGENTS USV PHARMACEUTICAL CORP. (US) 1985-12-10 US disclosed
US-4496542-A HYPOTENSIVE AGENTS; ENZYME INHIBITORS USV PHARMACEUTICAL CORPORATION (US) 1985-01-29 US disclosed
EP-0061768-A1 N-amido substituted dipeptides USV PHARMACEUTICAL CORPORATION (US) 1982-10-06 EP disclosed