SCHEMBL7325396

SCHEMBL7325396

C=Cc1c(N)c(C)c(Cc2ccccc2)c(C(=O)O)c1S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.41
MMP8 P22894 6/20 0.41
MMP12 P39900 6/20 0.41
MMP13 P45452 6/20 0.41
MMP14 P50281 6/20 0.41
MMP16 P51512 6/20 0.41
MMP9 P14780 6/20 0.41
MMP3 P08254 6/20 0.41
MMP1 P03956 5/20 0.41
ADAM17 P78536 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 2/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
MCL1 Q07820 1/20 0.39
PTGES O14684 1/20 0.39
TAS2R14 Q9NYV8 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
SCHEMBL7354908 0.92 ALDH1A1 (0.43) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7321840 0.91 MMP9 (0.44) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7322659 0.89 MMP2 (0.47) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7322414 0.87 TP53 (0.45) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7318675 0.86 MMP2 (0.45) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7312473 0.86 MCL1 (0.44) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7322985 0.85 MMP2 (0.45) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7321207 0.84 ALDH1A1 (0.45) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7311811 0.84 MMP9 (0.42) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7317682 0.83 MMP2 (0.41) 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