SCHEMBL7900002

SCHEMBL7900002

COCC#CCC(C(N)O)S(=O)(=O)c1ccc(NC(C)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.46
MMP13 P45452 6/20 0.46
MMP3 P08254 4/20 0.46
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA12 O43570 3/20 0.44
CA9 Q16790 3/20 0.44
F2 P00734 2/20 0.43
PRSS1 P07477 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
POLB P06746 2/20 0.41
PKM P14618 2/20 0.41
CYP2C19 P33261 1/20 0.41
TP53 P04637 2/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
MMP1 P03956 3/20 0.40
MMP9 P14780 1/20 0.40

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
SCHEMBL7899545 0.86 MMP13 (0.51) MMP2MMP13MMP3CA1CA2
SCHEMBL7455660 0.75 MMP13 (0.73) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7451384 0.75 MMP2 (0.53) MMP2MMP13MMP3CA1CA2
SCHEMBL7514640 0.70 CA1 (0.44) MMP2MMP13MMP3CA1CA2
SCHEMBL13588729 0.67 CA1 (0.62) MMP2MMP13CA1CA2CA12
SCHEMBL14411540 0.66 CA1 (0.61) MMP2MMP13CA1CA2CA12
SCHEMBL10602501 0.65 CA1 (0.51) MMP2MMP13CA1CA2CA12
SCHEMBL8009645 0.65 CA1 (0.69) MMP2MMP13CA1CA2CA12
SCHEMBL10088209 0.64 ALDH1A1 (0.63) MMP2MMP13CA1CA2CA12
SCHEMBL11883912 0.63 POLB (0.69) MMP2MMP13CA1CA2CA12

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
US-6197770-B1 ENZYME INHIBITORS; ANTIARTHRITIC AGENTS; BONE DISORDERS THE PROCTER & GAMBLE CO. 2001-03-06 US disclosed