SCHEMBL7446582

SCHEMBL7446582

COC(=O)C(N)(CC#CCN1CCOCC1)S(=O)(=O)c1ccc(NC(C)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 1/20 0.44
POLB P06746 2/20 0.44
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43
ATM Q13315 1/20 0.43
MMP2 P08253 3/20 0.42
MMP3 P08254 3/20 0.42
MMP13 P45452 3/20 0.42
MMP1 P03956 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL7550995 0.87 MMP13 (0.44) KMT2ACA1CA2CA9MMP2
SCHEMBL7513672 0.85 MMP13 (0.59) KMT2AMMP2MMP3MMP13MMP1
SCHEMBL7509695 0.83 MMP2 (0.58) KMT2APOLBMMP2MMP3MMP13
SCHEMBL7547380 0.78 MMP2 (0.41) KMT2AMMP2MMP3MMP13MMP1
SCHEMBL7509339 0.77 MMP13 (0.61) KMT2AMMP2MMP3MMP13MMP1
SCHEMBL7508581 0.77 MMP13 (0.53) KMT2AMMP2MMP3MMP13MMP1
SCHEMBL7587417 0.76 ALDH1A1 (0.41) KMT2ACA1CA2CA9KDM4E
SCHEMBL7595438 0.76 MMP13 (0.57) KMT2APOLBMMP2MMP3MMP13
SCHEMBL7899844 0.75 MMP2 (0.59) KMT2APOLBMMP2MMP3MMP13
SCHEMBL7514640 0.74 CA1 (0.44) KMT2APOLBCA1CA2CA9

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