SCHEMBL7315387

SCHEMBL7315387

COC(=O)c1cc(C)cc(C)c1NS(=O)(=O)c1ccc(OC)cc1Cc1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA3 P34903 1/20 0.44
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
METAP2 P50579 1/20 0.39
TP53 P04637 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MMP1 P03956 2/20 0.38
MMP13 P45452 2/20 0.38
CYTH2 Q99418 1/20 0.38
FPR1 P21462 1/20 0.37
FPR2 P25090 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PDE3B Q13370 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
SCHEMBL7317403 0.90 METAP2 (0.48) FFAR4GABRG2GABRB3GABRA3GAA
SCHEMBL7311131 0.90 FFAR4 (0.44) FFAR4GABRG2GABRB3GABRA3GAA
SCHEMBL7313794 0.86 MTNR1A (0.42) GAAMEN1KMT2AMMP1MMP13
SCHEMBL7314226 0.86 FFAR4 (0.43) FFAR4GABRG2GABRB3GABRA3GAA
SCHEMBL7317686 0.86 FFAR4 (0.51) FFAR4GABRG2GABRB3GABRA3GAA
SCHEMBL7322650 0.83 METAP2 (0.58) FFAR4GABRG2GABRB3GABRA3GAA
SCHEMBL7316525 0.83 ALDH1A1 (0.42) GAAMEN1KMT2AL3MBTL1MMP1
SCHEMBL7325564 0.82 METAP2 (0.49) FFAR4GABRG2GABRB3GABRA3GAA
SCHEMBL7318301 0.82 MTNR1A (0.43) FFAR4GAAMEN1KMT2ATP53
SCHEMBL7321197 0.80 MTNR1A (0.41) FFAR4GAAMEN1KMT2ACYTH2

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