SCHEMBL628963

SCHEMBL628963

Cc1ccccc1-c1cc(CN(CCC2CCCCC2)S(=O)(=O)CCCC(F)(F)F)ccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
BRS3 P32247 1/20 0.35
ACLY P53396 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
PTGES O14684 1/20 0.34

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
SCHEMBL630131 0.91 FNTA (0.45) FNTAFNTB
SCHEMBL7869137 0.89 FNTA (0.51) FNTAFNTBBRS3ACLYLTB4R2
SCHEMBL10193321 0.88 FNTA (0.47) FNTAFNTBBRS3LTB4R2PTGES
SCHEMBL10192976 0.87 FNTA (0.51) FNTAFNTBBRS3ACLYLTB4R2
SCHEMBL10192974 0.85 FNTA (0.70) FNTAFNTB
SCHEMBL10193981 0.83 FNTA (0.56) FNTAFNTB
SCHEMBL7874245 0.81 STAT3 (0.48) FNTAFNTBPTGES
SCHEMBL10192973 0.81 FNTA (0.47) FNTAFNTB
SCHEMBL7862401 0.81 FNTA (0.46) FNTAFNTBPTGES
SCHEMBL7871302 0.80 FNTA (0.46) FNTAFNTBPTGES

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986384-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2012-02-22 EP disclosed
EP-0986384-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2012-02-22 EP disclosed
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