SCHEMBL7322110

SCHEMBL7322110

COc1ccc(S(=O)(=O)c2cc(C(=O)O)c(Cc3ccccc3)c(OCc3ccccc3)c2N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.46
MMP8 P22894 10/20 0.46
MMP12 P39900 10/20 0.46
MMP13 P45452 10/20 0.46
MMP14 P50281 10/20 0.46
MMP16 P51512 10/20 0.46
MMP9 P14780 10/20 0.43
MMP3 P08254 7/20 0.43
MMP1 P03956 5/20 0.43
CNR1 P21554 2/20 0.43
ADAM17 P78536 1/20 0.43
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
PKM P14618 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
TP53 P04637 1/20 0.40
NFKB1 P19838 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
SCHEMBL7323198 0.92 MMP2 (0.44) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7317813 0.92 MMP2 (0.49) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7314682 0.91 MMP2 (0.47) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7316368 0.91 MMP13 (0.53) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7325271 0.90 MMP2 (0.44) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7316017 0.90 MMP2 (0.43) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7318345 0.89 MMP2 (0.45) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7318741 0.89 MMP13 (0.43) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7321087 0.88 HPGD (0.43) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7315558 0.88 MMP2 (0.46) MMP2MMP8MMP12MMP13MMP14

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