SCHEMBL628888

SCHEMBL628888

Cc1ccccc1-c1cc(CN(CCC2CCCCC2)C(C)(C)C)ccc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.51
FNTB P49356 1/20 0.51
BRS3 P32247 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.38

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
SCHEMBL630166 0.89 FNTA (0.49) FNTAFNTB
SCHEMBL6624997 0.88 FNTA (0.52) FNTAFNTBBRS3
SCHEMBL629682 0.83 FNTA (0.69) FNTAFNTBLTB4R2
SCHEMBL628650 0.82 FNTA (0.78) FNTAFNTB
SCHEMBL7869137 0.81 FNTA (0.51) FNTAFNTBBRS3LTB4R2
SCHEMBL10193047 0.81 FNTA (0.54) FNTAFNTBBRS3
SCHEMBL7874245 0.81 STAT3 (0.48) FNTAFNTB
SCHEMBL7862401 0.80 FNTA (0.46) FNTAFNTB
SCHEMBL10193215 0.80 FNTA (0.62) FNTAFNTB
SCHEMBL6627774 0.79 FNTA (0.44) FNTAFNTBBRS3

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