SCHEMBL7869174

SCHEMBL7869174

COC(=O)c1ccc(CN(CCC2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1-c1ccccc1C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.45
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
STAT3 P40763 5/20 0.44
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
TAS2R14 Q9NYV8 4/20 0.42
PTGES O14684 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL7862519 0.94 MMP3 (0.54) MMP3FNTAFNTBTAS2R14PTGES
SCHEMBL7862520 0.94 MMP3 (0.46) MMP3FNTAFNTBSTAT3TAS2R14
SCHEMBL7862462 0.93 FNTA (0.44) MMP3FNTAFNTBSTAT3CNR2
SCHEMBL7862459 0.92 FNTA (0.48) MMP3FNTAFNTBSTAT3TAS2R14
SCHEMBL7869003 0.91 MAPK1 (0.44) MMP3FNTAFNTBSTAT3MAPT
SCHEMBL7874245 0.91 STAT3 (0.48) FNTAFNTBSTAT3CNR1CNR2
SCHEMBL628907 0.86 FNTA (0.49) MMP3FNTAFNTB
SCHEMBL7871302 0.84 FNTA (0.46) MMP3FNTAFNTBSTAT3TAS2R14
SCHEMBL10192973 0.84 FNTA (0.47) MMP3FNTAFNTB
SCHEMBL6626900 0.83 FNTA (0.62) FNTAFNTB

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-6310095-B1 INHIBITING OR TREATING CANCER, TREATING INTIMAL HYPERPLASIA ASSOCIATED WITH RESTENOSIS AND ATHEROSCLEROSIS, INHIBITING POST-TRANSLATIONAL MODIFICATION OF ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE AND/OR GERANYLGERANYLTRANSFERASE UNIVERSITY OF PITTSBURGH 2001-10-30 US disclosed