SCHEMBL7450581

SCHEMBL7450581

COC(=O)C(N)(CC#Cc1cccc(N2CCOCC2)c1)S(=O)(=O)c1ccc(I)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.49
MMP13 P45452 3/20 0.49
MMP3 P08254 2/20 0.49
MMP1 P03956 1/20 0.49
ALOX12 P18054 1/20 0.38
KMT2A Q03164 4/20 0.36
MMP9 P14780 1/20 0.36
MMP14 P50281 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
HTT P42858 1/20 0.35
KMO O15229 1/20 0.35
MEN1 O00255 3/20 0.35
MAPT P10636 3/20 0.35
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NAMPT P43490 2/20 0.34
PLOD2 O00469 1/20 0.34
PLOD3 O60568 1/20 0.34

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
SCHEMBL7451550 0.90 MMP2 (0.46) MMP2MMP13MMP3MMP1KMT2A
SCHEMBL7593703 0.89 MMP13 (0.63) MMP2MMP13MMP3MMP1ALOX12
SCHEMBL7572940 0.82 MMP2 (0.65) MMP2MMP13MMP3MMP1KMT2A
SCHEMBL7572580 0.81 MMP13 (0.39) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7513743 0.79 MMP13 (0.61) MMP2MMP13MMP3MMP1KMT2A
SCHEMBL7550995 0.79 MMP13 (0.44) MMP2MMP13MMP3MMP1KMT2A
SCHEMBL7450575 0.76 MMP2 (0.70) MMP2MMP13MMP3MMP1ALOX12
SCHEMBL7547380 0.72 MMP2 (0.41) MMP2MMP13MMP3MMP1KMT2A
SCHEMBL7900078 0.72 MMP2 (0.62) MMP2MMP13MMP3MMP1KMT2A
SCHEMBL7502964 0.70 MMP13 (0.50) MMP2MMP13MMP3MMP1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165501-A1 ALKENYL- AND ALKYNYL-CONTAINING METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-01-02 EP disclosed
US-6197770-B1 ENZYME INHIBITORS; ANTIARTHRITIC AGENTS; BONE DISORDERS THE PROCTER & GAMBLE CO. 2001-03-06 US disclosed
WO-2000051975-A1 ALKENYL- AND ALKYNYL-CONTAINING METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2000-09-08 WO disclosed