SCHEMBL7319249

SCHEMBL7319249

CCCOc1ccc(S(=O)(=O)c2c(C)c(N)c(C)c(Cc3ccccc3)c2C(=O)NO)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 11/20 0.43
MMP9 P14780 10/20 0.43
ADAM17 P78536 7/20 0.43
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP1 P03956 6/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
KAT6A Q92794 2/20 0.38
MMP2 P08253 5/20 0.37

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
SCHEMBL7317445 0.93 MMP13 (0.45) MMP13MMP9ADAM17NPC1MAPT
SCHEMBL7316684 0.92 MMP9 (0.46) MMP13MMP9ADAM17ALDH1A1MMP1
SCHEMBL7315893 0.89 MMP13 (0.47) MMP13MMP9ADAM17LMNANPC1
SCHEMBL7323399 0.89 MMP9 (0.49) MMP13MMP9ADAM17MMP1CA1
SCHEMBL7324951 0.87 CTRC (0.43) MMP13MMP9ADAM17LMNANPC1
SCHEMBL7313417 0.86 CNR2 (0.39) MMP13MMP9ADAM17NPC1RAB9A
SCHEMBL7317152 0.84 MMP1 (0.38) MMP13MMP9ADAM17LMNAALDH1A1
SCHEMBL7310752 0.84 MMP9 (0.47) MMP13MMP9ADAM17ALDH1A1MMP1
SCHEMBL7322589 0.84 CYP2D6 (0.42) MMP13MMP9ADAM17ALDH1A1NPC1
SCHEMBL7325559 0.81 CA1 (0.47) MMP13MMP9ADAM17ALDH1A1MMP1

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