SCHEMBL7630873

SCHEMBL7630873

O=C(CC(CCc1cccc(C(=O)NCCC2CNCCO2)c1)C(=O)O)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.42
MMP2 P08253 3/20 0.39
MMP3 P08254 3/20 0.39
MMP9 P14780 3/20 0.39
MMP13 P45452 2/20 0.39
MMP1 P03956 1/20 0.39
MMP8 P22894 1/20 0.39
ROCK2 O75116 1/20 0.36
PKN2 Q16513 1/20 0.36
NTRK1 P04629 1/20 0.36

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
SCHEMBL7625075 0.82 MCHR1 (0.51) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7633774 0.81 GCG (0.46) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7623455 0.80 F10 (0.53) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7631279 0.80 SMN1; SMN2 (0.50) BRD4MMP2MMP3MMP9MMP13
SCHEMBL7630885 0.79 CD274 (0.55)
SCHEMBL7632375 0.79 NPC1 (0.53) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7626881 0.76 HSP90AA1 (0.44) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7627770 0.74 MCHR1 (0.58) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7627295 0.73 AOC3 (0.47) MMP2MMP3MMP9MMP13MMP1
SCHEMBL28001720 0.71 BRD4 (0.54) BRD4

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-0907632-B1 INHIBITION OF MATRIX METALLOPROTEASES BY SUBSTITUTED PHENETHYL COMPOUNDS BAYER AG (US) 2002-12-11 EP disclosed