SCHEMBL7318612

SCHEMBL7318612

COc1ccc(S(=O)(=O)c2c(C)c(N)c(C)c(Cc3c(F)c(F)c(OC)c(F)c3F)c2C(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.39
MMP8 P22894 7/20 0.39
MMP12 P39900 7/20 0.39
MMP13 P45452 7/20 0.39
MMP14 P50281 7/20 0.39
MMP16 P51512 7/20 0.39
LMNA P02545 6/20 0.39
TP53 P04637 2/20 0.39
THRB P10828 1/20 0.39
MMP9 P14780 6/20 0.38
MMP3 P08254 5/20 0.38
MMP1 P03956 4/20 0.38
ADAM17 P78536 1/20 0.38
MCL1 Q07820 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.37
MAPT P10636 1/20 0.36
METAP2 P50579 1/20 0.35
PKM P14618 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL7316841 0.89 MMP13 (0.42) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7322659 0.83 MMP2 (0.47) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7317729 0.83 RAPGEF4 (0.43) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7311552 0.81 RAPGEF4 (0.41) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7316126 0.80 TAS2R14 (0.45) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7315652 0.80 MMP2 (0.49) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7311380 0.80 NAMPT (0.48) MMP2MMP13MMP9MMP1ADAM17
SCHEMBL7323700 0.79 RAPGEF4 (0.48) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7325574 0.78 MMP2 (0.40) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7317410 0.76 ALDH1A1 (0.47) 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