SCHEMBL7397287

SCHEMBL7397287

CO[P@](=O)(CCCCNC(=O)OCC(C)C)CN(C(=O)CCCc1ccccc1)[C@@H](CC(C)C)C(=O)Nc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 15/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MMP2 P08253 4/20 0.40
MMP1 P03956 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
MMP8 P22894 1/20 0.37

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
SCHEMBL7394771 0.91 MMP3 (0.55) MMP3ALDH1A1LMNAMMP2MMP1
SCHEMBL7398823 0.87 MMP3 (0.43) MMP3MMP2MMP8
SCHEMBL7397726 0.81 MMP3 (0.50) MMP3ALDH1A1LMNAMMP2MMP1
SCHEMBL7402167 0.80 MMP3 (0.59) MMP3MMP2MMP1
SCHEMBL7396368 0.78 MMP3 (0.54) MMP3MMP2
SCHEMBL7432765 0.77 LMNA (0.40) MMP3ALDH1A1LMNAMMP2CHRNB2
SCHEMBL7397284 0.77 MMP3 (0.40) MMP3MMP2MMP1
SCHEMBL7398821 0.73 MMP3 (0.40) MMP3MMP2MMP1
SCHEMBL8858187 0.72 MMP3 (0.40) MMP3ALDH1A1LMNAMMP2MMP1
SCHEMBL7401524 0.71 MMP3 (0.66) MMP3MMP2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623143-A1 SUBSTITUTED PHOSPHINIC ACID-CONTAINING PEPTIDYL DERIVATIVES AS ANTIDEGENERATIVE AGENTS MERCK & CO. INC. (US) 1994-11-09 EP disclosed
WO-1993014112-A1 SUBSTITUTED PHOSPHINIC ACID-CONTAINING PEPTIDYL DERIVATIVES AS ANTIDEGENERATIVE AGENTS MERCK & CO., INC. (US) 1993-07-22 WO disclosed