SCHEMBL7324937

SCHEMBL7324937

CCCCOc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C(=O)O)c(Cc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.54
MMP13 P45452 3/20 0.47
ADAM17 P78536 3/20 0.47
MMP9 P14780 2/20 0.47
WDR5 P61964 2/20 0.46
MCL1 Q07820 1/20 0.44
BCL2A1 Q16548 1/20 0.44
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTPN11 Q06124 1/20 0.41
JAK2 O60674 1/20 0.41
FABP4 P15090 6/20 0.40
FABP5 Q01469 6/20 0.40
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
PPARG P37231 1/20 0.40
MMP1 P03956 2/20 0.40
KAT6A Q92794 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
SCHEMBL7322578 0.92 MMP13 (0.45) METAP2MMP13ADAM17MMP9WDR5
SCHEMBL7325546 0.90 METAP2 (0.56) METAP2MMP13ADAM17MMP9MCL1
SCHEMBL7322650 0.88 METAP2 (0.58) METAP2MMP13MCL1ALDH1A1HPGD
SCHEMBL7316879 0.82 METAP2 (0.57) METAP2ALDH1A1HPGDHSD17B10FABP4
SCHEMBL7317403 0.82 METAP2 (0.48) METAP2MMP13ALDH1A1MMP1
SCHEMBL7316128 0.81 MEN1 (0.48) METAP2MMP13ADAM17MMP9MCL1
SCHEMBL7325564 0.80 METAP2 (0.49) METAP2MMP13ADAM17MMP9ALDH1A1
SCHEMBL7314649 0.79 MEN1 (0.38) METAP2WDR5MCL1ALDH1A1
SCHEMBL7318667 0.79 METAP2 (0.45) METAP2MMP13ADAM17MMP9MCL1
SCHEMBL7317721 0.79 METAP2 (0.57) METAP2MCL1ALDH1A1HPGDHSD17B10

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