SCHEMBL7318345

SCHEMBL7318345

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 13/20 0.45
MMP12 P39900 12/20 0.45
MMP13 P45452 11/20 0.45
MMP14 P50281 11/20 0.45
MMP8 P22894 10/20 0.45
MMP16 P51512 10/20 0.45
MMP9 P14780 11/20 0.43
MMP3 P08254 8/20 0.43
MMP1 P03956 6/20 0.43
PLA2G2A P14555 2/20 0.41
PLA2G1B P04054 1/20 0.41
CNR1 P21554 2/20 0.41
ADAM17 P78536 1/20 0.41
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 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
SCHEMBL7313017 0.97 MMP2 (0.44) MMP2MMP12MMP13MMP14MMP8
SCHEMBL7316017 0.92 MMP2 (0.43) MMP2MMP12MMP13MMP14MMP8
SCHEMBL7325271 0.91 MMP2 (0.44) MMP2MMP12MMP13MMP14MMP8
SCHEMBL7314682 0.90 MMP2 (0.47) MMP2MMP12MMP13MMP14MMP8
SCHEMBL7322110 0.89 MMP2 (0.46) MMP2MMP12MMP13MMP14MMP8
SCHEMBL7317813 0.89 MMP2 (0.49) MMP2MMP12MMP13MMP14MMP8
SCHEMBL7321209 0.86 MMP2 (0.41) MMP2MMP12MMP13MMP14MMP8
SCHEMBL7318741 0.85 MMP13 (0.43) MMP2MMP12MMP13MMP14MMP8
SCHEMBL7311793 0.85 MMP1 (0.48) MMP2MMP12MMP13MMP14MMP8
SCHEMBL7315558 0.85 MMP2 (0.46) MMP2MMP12MMP13MMP14MMP8

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