SCHEMBL7450645

SCHEMBL7450645

C#Cc1cc(-c2ccc(OC)cc2)ccc1S(=O)(=O)C(N)(CC#Cc1ccccc1)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 13/20 0.44
MMP2 P08253 12/20 0.44
MMP3 P08254 11/20 0.44
MMP1 P03956 8/20 0.44
MMP9 P14780 4/20 0.44
MMP8 P22894 2/20 0.44
KAT6A Q92794 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NLRP3 Q96P20 1/20 0.35

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
SCHEMBL7507252 0.93 MMP13 (0.43) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7456196 0.92 MMP2 (0.35) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7452794 0.84 MMP1 (0.41) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7502278 0.84 MMP13 (0.55) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7504743 0.82 MMP2 (0.35) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7516046 0.80 MMP13 (0.48) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7449935 0.78 MMP13 (0.60) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7446832 0.76 F10 (0.47) ALDH1A1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL7516820 0.76 MMP13 (0.54) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7507249 0.76 MMP13 (0.71) MMP13MMP2MMP3MMP1MMP9

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