SCHEMBL7758727

SCHEMBL7758727

COC(=O)c1ccc(NC(=O)C(CC(C)C)NCC(CCCc2ccccc2)CNS)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 11/20 0.47
MMP1 P03956 1/20 0.46
MMP7 P09237 1/20 0.46
MMP2 P08253 4/20 0.45
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MMP8 P22894 1/20 0.44
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
THRB P10828 1/20 0.41
CYP4A11 Q02928 1/20 0.40

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
SCHEMBL7758723 0.85 MMP3 (0.59) MMP3MMP1MMP7MMP2MMP8
SCHEMBL7762171 0.76 MMP3 (0.55) MMP3MMP1MMP7MMP2
SCHEMBL9289897 0.75 MMP3 (0.58) MMP3MMP1MMP7MMP2
SCHEMBL7762295 0.75 MMP2 (0.62) MMP3MMP2
SCHEMBL7758535 0.74 MMP3 (0.59) MMP3MMP1MMP7MMP2CYP4A11
SCHEMBL7764977 0.72 MMP3 (0.59) MMP3MMP1MMP7MMP2CYP4A11
SCHEMBL7763812 0.71 MMP3 (0.54) MMP3MMP1MMP7MMP2MMP8
SCHEMBL7763658 0.70 MMP2 (0.47) MMP3MMP1MMP2MAPTLMNA
SCHEMBL7763165 0.70 MMP3 (0.56) MMP3MMP1MMP7MMP2MMP8
SCHEMBL7763176 0.70 MMP3 (0.53) MMP3MMP1MMP7MMP2

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-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO disclosed