SCHEMBL7901571

SCHEMBL7901571

COc1ccc(-c2ccc(S(=O)(=O)C(N)(CC#CCN3CCCC3)C(=O)O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 10/20 0.59
MMP2 P08253 7/20 0.59
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 4/20 0.51
PKM P14618 2/20 0.51
KMT2A Q03164 1/20 0.51
MMP1 P03956 4/20 0.49
MMP3 P08254 3/20 0.49
POLB P06746 1/20 0.41
MMP9 P14780 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 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
SCHEMBL7595438 0.92 MMP13 (0.57) MMP13MMP2KDM4EALDH1A1PKM
SCHEMBL7509339 0.91 MMP13 (0.61) MMP13MMP2KDM4EALDH1A1PKM
SCHEMBL7512022 0.89 MMP2 (0.48) MMP13MMP2KDM4EALDH1A1PKM
SCHEMBL7510414 0.88 MMP2 (0.56) MMP13MMP2KDM4EALDH1A1KMT2A
SCHEMBL7899733 0.85 MMP13 (0.43) MMP13MMP2KDM4EALDH1A1MMP1
SCHEMBL7508581 0.84 MMP13 (0.53) MMP13MMP2KDM4EALDH1A1PKM
SCHEMBL7502927 0.84 MMP13 (0.53) MMP13MMP2MMP1MMP3MMP9
SCHEMBL7513672 0.83 MMP13 (0.59) MMP13MMP2KDM4EALDH1A1KMT2A
SCHEMBL7555235 0.82 MMP13 (0.56) MMP13MMP2ALDH1A1MMP1MMP3
SCHEMBL7506693 0.80 MMP2 (0.51) MMP13MMP2KDM4EALDH1A1KMT2A

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