SCHEMBL7316126

SCHEMBL7316126

COc1ccc(S(=O)(=O)c2c(C)c(N)c(C)c(Cc3cccc(OC)c3)c2C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 4/20 0.45
MMP2 P08253 4/20 0.42
MMP8 P22894 4/20 0.42
MMP12 P39900 4/20 0.42
MMP13 P45452 4/20 0.42
MMP14 P50281 4/20 0.42
MMP16 P51512 4/20 0.42
BMP1 P13497 1/20 0.41
TP53 P04637 2/20 0.41
CNR1 P21554 1/20 0.40
MMP9 P14780 3/20 0.40
MMP1 P03956 2/20 0.40
MMP3 P08254 2/20 0.40
ADAM17 P78536 1/20 0.40
IDH1 O75874 1/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.39
MCL1 Q07820 1/20 0.39
AKR1C3 P42330 1/20 0.39

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
SCHEMBL7322659 0.92 MMP2 (0.47) TAS2R14MMP2MMP8MMP12MMP13
SCHEMBL7325574 0.91 MMP2 (0.40) TAS2R14MMP2MMP8MMP12MMP13
SCHEMBL7324368 0.91 CA1 (0.42) TAS2R14MMP2MMP8MMP12MMP13
SCHEMBL7321847 0.89 MMP13 (0.44) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7311380 0.85 NAMPT (0.48) MMP2MMP13MMP9MMP1ADAM17
SCHEMBL7317410 0.84 ALDH1A1 (0.47) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7322414 0.83 TP53 (0.45) TAS2R14MMP2MMP8MMP12MMP13
SCHEMBL7322985 0.83 MMP2 (0.45) TAS2R14MMP2MMP8MMP12MMP13
SCHEMBL7317729 0.83 RAPGEF4 (0.43) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7318675 0.83 MMP2 (0.45) TAS2R14MMP2MMP8MMP12MMP13

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