SCHEMBL7315547

SCHEMBL7315547

COc1ccc(S(=O)(=O)c2cc(C(=O)O)c(Cc3ccccc3)c([N+](=O)[O-])c2N)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 11/20 0.46
MMP2 P08253 10/20 0.46
MMP8 P22894 10/20 0.46
MMP12 P39900 10/20 0.46
MMP14 P50281 10/20 0.46
MMP16 P51512 10/20 0.46
NPY1R P25929 1/20 0.45
MMP9 P14780 10/20 0.43
MMP3 P08254 7/20 0.43
MMP1 P03956 6/20 0.43
CNR1 P21554 2/20 0.43
ADAM17 P78536 1/20 0.43
PTGES O14684 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
TAS2R8 Q9NYW2 1/20 0.39
CXCR3 P49682 1/20 0.39
BMP1 P13497 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL7321236 0.92 MMP13 (0.44) MMP13MMP2MMP8MMP12MMP14
SCHEMBL7316267 0.91 MMP13 (0.53) MMP13MMP2MMP8MMP12MMP14
SCHEMBL7317813 0.86 MMP2 (0.49) MMP13MMP2MMP8MMP12MMP14
SCHEMBL7313468 0.86 MMP2 (0.49) MMP13MMP2MMP8MMP12MMP14
SCHEMBL7351236 0.85 MMP2 (0.48) MMP13MMP2MMP8MMP12MMP14
SCHEMBL7318564 0.84 MMP2 (0.49) MMP13MMP2MMP8MMP12MMP14
SCHEMBL7325058 0.83 MMP13 (0.47) MMP13MMP2MMP8MMP12MMP14
SCHEMBL7315558 0.82 MMP2 (0.46) MMP13MMP2MMP8MMP12MMP14
SCHEMBL7322110 0.82 MMP2 (0.46) MMP13MMP2MMP8MMP12MMP14
SCHEMBL7316017 0.82 MMP2 (0.43) MMP13MMP2MMP8MMP12MMP14

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