SCHEMBL7318741

SCHEMBL7318741

COc1ccc(S(=O)(=O)c2cc(C(=O)O)c(Cc3ccccc3)c(OCC(F)(F)F)c2N)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 12/20 0.43
MMP2 P08253 11/20 0.43
MMP12 P39900 11/20 0.43
MMP8 P22894 10/20 0.43
MMP14 P50281 10/20 0.43
MMP16 P51512 10/20 0.43
CNR1 P21554 3/20 0.41
MMP9 P14780 12/20 0.41
MMP3 P08254 7/20 0.41
MMP1 P03956 6/20 0.41
ADAM17 P78536 1/20 0.41
TP53 P04637 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL7317236 0.93 CNR1 (0.42) MMP13MMP2MMP12MMP8MMP14
SCHEMBL7322624 0.91 MMP13 (0.49) MMP13MMP2MMP12MMP8MMP14
SCHEMBL7322110 0.89 MMP2 (0.46) MMP13MMP2MMP12MMP8MMP14
SCHEMBL7317813 0.89 MMP2 (0.49) MMP13MMP2MMP12MMP8MMP14
SCHEMBL7314682 0.88 MMP2 (0.47) MMP13MMP2MMP12MMP8MMP14
SCHEMBL7325058 0.88 MMP13 (0.47) MMP13MMP2MMP12MMP8MMP14
SCHEMBL7325271 0.87 MMP2 (0.44) MMP13MMP2MMP12MMP8MMP14
SCHEMBL7316017 0.86 MMP2 (0.43) MMP13MMP2MMP12MMP8MMP14
SCHEMBL7318345 0.85 MMP2 (0.45) MMP13MMP2MMP12MMP8MMP14
SCHEMBL7315558 0.85 MMP2 (0.46) MMP13MMP2MMP12MMP8MMP14

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-5929097-A INHIBIT TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed