SCHEMBL7314697

SCHEMBL7314697

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.45
MMP8 P22894 7/20 0.45
MMP12 P39900 7/20 0.45
MMP13 P45452 7/20 0.45
MMP14 P50281 7/20 0.45
MMP16 P51512 7/20 0.45
MMP9 P14780 6/20 0.43
MMP3 P08254 5/20 0.43
MMP1 P03956 4/20 0.43
ADAM17 P78536 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
NPC1 O15118 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CNR1 P21554 1/20 0.41
KMT2A Q03164 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL7325283 0.89 MMP2 (0.49) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7313502 0.86 MMP13 (0.52) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7323179 0.85 KEAP1 (0.49) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7323308 0.83 KEAP1 (0.49) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7317392 0.83 KEAP1 (0.49) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7323420 0.82 NPC1 (0.43) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7317489 0.82 KEAP1 (0.49) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7313468 0.77 MMP2 (0.49) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7323621 0.77 NAMPT (0.44) MMP2MMP13MMP9MMP3MMP1
SCHEMBL7323198 0.76 MMP2 (0.44) 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