SCHEMBL7439396

SCHEMBL7439396

CCOC(=O)[C@H](Cc1ccccc1)NCC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.53
ITGB7 P26010 2/20 0.53
MAPT P10636 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
MMP8 P22894 1/20 0.48
CTSS P25774 2/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
PPID Q08752 1/20 0.45
ELANE P08246 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HPRT1 P00492 1/20 0.45
ACE P12821 1/20 0.45
GPR142 Q7Z601 1/20 0.45
TP53 P04637 1/20 0.44
KLK5 Q9Y337 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL6600210 1.00 ITGA4 (0.53) ITGA4ITGB7MAPTTDP1MMP8
SCHEMBL7439390 1.00 ITGA4 (0.53) ITGA4ITGB7MAPTTDP1MMP8
SCHEMBL6428127 0.91 ITGA4 (0.62) ITGA4ITGB7MAPTTDP1CTSS
SCHEMBL7428724 0.90 ITGA4 (0.59) ITGA4ITGB7MAPTTDP1MMP8
SCHEMBL7428720 0.90 ITGA4 (0.59) ITGA4ITGB7MAPTTDP1MMP8
SCHEMBL4022466 0.90 ITGA4 (0.58) ITGA4ITGB7MAPTTDP1CTSS
SCHEMBL4022463 0.90 ITGA4 (0.58) ITGA4ITGB7MAPTTDP1CTSS
SCHEMBL6440329 0.90 ITGA4 (0.58) ITGA4ITGB7MAPTTDP1CTSS
SCHEMBL17287421 0.88 PPID (0.54) MMP8PPIDELANEMEN1KMT2A
SCHEMBL3268059 0.87 ACE (0.54) ITGA4ITGB7MAPTTDP1CTSS

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-0640594-A1 Hydantoin derivative as metalloprotease inhibitor FUJIREBIO INC. (JP) 1995-03-01 EP disclosed