SCHEMBL30445952

SCHEMBL30445952

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

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
ENPEP Q07075 7/20 0.55
L3MBTL1 Q9Y468 1/20 0.51
CA2 P00918 4/20 0.47
CA1 P00915 3/20 0.47
FPR2 P25090 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
DPP4 P27487 1/20 0.42

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
SCHEMBL2543429 1.00 ALDH1A1 (0.59) ALDH1A1ENPEPL3MBTL1CA2CA1
SCHEMBL934499 1.00 ALDH1A1 (0.59) ALDH1A1ENPEPL3MBTL1CA2CA1
SCHEMBL934498 1.00 ALDH1A1 (0.59) ALDH1A1ENPEPL3MBTL1CA2CA1
SCHEMBL1863400 1.00 ALDH1A1 (0.59) ALDH1A1ENPEPL3MBTL1CA2CA1
SCHEMBL30052816 0.96 ALDH1A1 (0.56) ALDH1A1ENPEPL3MBTL1CA2CA1
SCHEMBL30051944 0.93 ALDH1A1 (0.53) ALDH1A1ENPEPL3MBTL1CA2CA1
SCHEMBL29696992 0.93 ALDH1A1 (0.53) ALDH1A1ENPEPL3MBTL1CA2CA1
SCHEMBL30051532 0.93 ALDH1A1 (0.53) ALDH1A1ENPEPL3MBTL1CA2CA1
SCHEMBL30011402 0.90 ALDH1A1 (0.50) ALDH1A1ENPEPL3MBTL1MMEACE
SCHEMBL8975146 0.90 ALDH1A1 (0.49) ALDH1A1ENPEPL3MBTL1

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
EP-4192843-A1 PEPTIDES ABLE TO BIND ANGIOTENSIN-CONVERTING ENZYME 2 (ACE2) AND MEDICAL USES THEREOF Ospedale Pediatrico Bambino Gesù (IT) 2023-06-14 EP claimed