SCHEMBL8343196

SCHEMBL8343196

CCCCP(=O)(CN(C(=O)CCCc1ccccc1)[C@@H](CC(C)C)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 4/20 0.45
MMP2 P08253 1/20 0.45
MMP1 P03956 1/20 0.42
SPHK1 Q9NYA1 7/20 0.39
SPHK2 Q9NRA0 3/20 0.39
FKBP1A P62942 1/20 0.38
CPA1 P15085 1/20 0.38
CPA2 P48052 1/20 0.38
CPA4 Q9UI42 1/20 0.38

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
SCHEMBL7643941 0.85 MMP3 (0.59) MMP3MMP2MMP1FKBP1A
SCHEMBL7643934 0.84 MMP3 (0.48) MMP3MMP2MMP1CPA1CPA2
SCHEMBL7401524 0.78 MMP3 (0.66) MMP3MMP2MMP1FKBP1A
SCHEMBL7401520 0.78 MMP3 (0.54) MMP3MMP2MMP1FKBP1ACPA1
SCHEMBL7402167 0.77 MMP3 (0.59) MMP3MMP2MMP1FKBP1A
SCHEMBL7402164 0.76 MMP3 (0.51) MMP3MMP2MMP1FKBP1ACPA1
SCHEMBL8858202 0.74 MMP3 (0.54) MMP3MMP2MMP1FKBP1ACPA1
SCHEMBL8344554 0.73 HPGD (0.38) MMP3MMP1
SCHEMBL8343741 0.70 MMP3 (0.47) MMP3MMP2MMP1FKBP1ACPA1
SCHEMBL7391702 0.69 MMP3 (0.64) MMP3MMP2MMP1FKBP1ACPA1

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
US-5948780-A ADMINISTERING A METALLOPROTEINASE INHIBITOR WARNER-LAMBERT COMPANY (US) 1999-09-07 US disclosed