SCHEMBL7311552

SCHEMBL7311552

CCCc1c(C)c(N)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.41
MMP2 P08253 8/20 0.41
MMP12 P39900 8/20 0.41
MMP8 P22894 7/20 0.41
MMP13 P45452 7/20 0.41
MMP14 P50281 7/20 0.41
MMP16 P51512 7/20 0.41
MCL1 Q07820 1/20 0.41
PKM P14618 2/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.39
MMP9 P14780 7/20 0.39
MMP3 P08254 5/20 0.39
MMP1 P03956 4/20 0.39
ADAM17 P78536 1/20 0.39
GAA P10253 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL7323459 0.91 LMNA (0.41) RAPGEF4MMP2MMP12MMP8MMP13
SCHEMBL7317729 0.91 RAPGEF4 (0.43) RAPGEF4MMP2MMP12MMP8MMP13
SCHEMBL7312522 0.88 MMP13 (0.46) RAPGEF4MMP2MMP12MMP8MMP13
SCHEMBL7322659 0.84 MMP2 (0.47) MMP2MMP12MMP8MMP13MMP14
SCHEMBL7323700 0.84 RAPGEF4 (0.48) RAPGEF4MMP2MMP12MMP8MMP13
SCHEMBL7323861 0.84 MMP2 (0.41) RAPGEF4MMP2MMP12MMP8MMP13
SCHEMBL7317696 0.83 LMNA (0.42) RAPGEF4MMP2MMP12MMP8MMP13
SCHEMBL7316126 0.81 TAS2R14 (0.45) RAPGEF4MMP2MMP12MMP8MMP13
SCHEMBL7318612 0.81 MMP2 (0.39) RAPGEF4MMP2MMP12MMP8MMP13
SCHEMBL7315652 0.81 MMP2 (0.49) MMP2MMP12MMP8MMP13MMP14

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