SCHEMBL7595438

SCHEMBL7595438

COC(=O)C(N)(CC#CCN1CCCC1)S(=O)(=O)c1ccc(-c2ccc(OC)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 11/20 0.57
MMP2 P08253 7/20 0.57
MMP1 P03956 5/20 0.48
MMP3 P08254 3/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
PKM P14618 2/20 0.47
KMT2A Q03164 1/20 0.47
MMP9 P14780 4/20 0.41
POLB P06746 1/20 0.40
LGMN Q99538 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL7901571 0.92 MMP13 (0.59) MMP13MMP2MMP1MMP3ALDH1A1
SCHEMBL7513672 0.91 MMP13 (0.59) MMP13MMP2MMP1MMP3ALDH1A1
SCHEMBL7508581 0.91 MMP13 (0.53) MMP13MMP2MMP1MMP3ALDH1A1
SCHEMBL7547380 0.87 MMP2 (0.41) MMP13MMP2MMP1MMP3ALDH1A1
SCHEMBL7509339 0.83 MMP13 (0.61) MMP13MMP2MMP1MMP3ALDH1A1
SCHEMBL7512022 0.81 MMP2 (0.48) MMP13MMP2MMP1MMP3ALDH1A1
SCHEMBL7509695 0.80 MMP2 (0.58) MMP13MMP2MMP1MMP3ALDH1A1
SCHEMBL7510414 0.80 MMP2 (0.56) MMP13MMP2MMP1MMP3ALDH1A1
SCHEMBL7511963 0.80 MMP9 (0.58) MMP13MMP2MMP1MMP3ALDH1A1
SCHEMBL7502278 0.78 MMP13 (0.55) MMP13MMP2MMP1MMP3ALDH1A1

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