SCHEMBL21376446

SCHEMBL21376446

CCC(CC)C(=O)N[C@@H](CNC(=O)NCc1cccc(Cl)c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.52
▸ OPRL1 P41146 1/20 0.52
▸ FOLH1 Q04609 1/20 0.45
▸ SLC2A1 P11166 1/20 0.45
▸ HTRA1 Q92743 1/20 0.45
▸ MASP2 O00187 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ CTSB P07858 3/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ CTSV O60911 2/20 0.41
▸ CTSL P07711 2/20 0.41
▸ CTSS P25774 2/20 0.41
▸ CTSK P43235 2/20 0.41

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
SCHEMBL21358724 0.87 POLB (0.54) ALDH1A1POLB
SCHEMBL21358725 0.87 POLB (0.54) ALDH1A1POLB
SCHEMBL21376628 0.82 ITGB1 (0.49) OPRM1OPRL1FOLH1SLC2A1GAA
SCHEMBL21376456 0.80 ACE (0.47) FOLH1ALDH1A1LMNAPOLB
SCHEMBL21376447 0.80 ALDH1A1 (0.64) FOLH1GAAEPHX2ALDH1A1
SCHEMBL21376455 0.79 PPID (0.47) ALDH1A1LMNAPOLB
SCHEMBL21376642 0.78 ITGA4 (0.50) OPRM1OPRL1FOLH1SLC2A1GAA
Lozilurea SCHEMBL1812194 0.78 GAA (0.56) OPRM1OPRL1SLC2A1GAAEPHX2
SCHEMBL21376443 0.77 PPARG (0.54) EPHX2ALDH1A1POLB
SCHEMBL21376639 0.76 OPRM1 (0.43) OPRM1OPRL1FOLH1SLC2A1MASP2

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
WO-2019178248-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-09-19 — — WO disclosed
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