SCHEMBL628443

SCHEMBL628443

Cc1ccccc1-c1cc(CN(C)CCC2C=CCCC2)ccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ATM Q13315 1/20 0.37
LTB4R2 Q9NPC1 3/20 0.35
TACR1 P25103 2/20 0.35
LTA4H P09960 2/20 0.35
APP P05067 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 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
SCHEMBL628800 0.90 FNTA (0.37) FNTAFNTBKMT2AMEN1ATM
SCHEMBL6624997 0.83 FNTA (0.52) FNTAFNTB
SCHEMBL628432 0.83 FNTA (0.62) FNTAFNTB
SCHEMBL628445 0.79 FNTA (0.37) FNTAFNTBLTB4R2
SCHEMBL628444 0.76 NPSR1 (0.40) KMT2AMEN1
SCHEMBL629820 0.74 FNTA (0.42) FNTAFNTBLTB4R2TACR1
SCHEMBL628888 0.72 FNTA (0.51) FNTAFNTBLTB4R2
SCHEMBL7871149 0.72 BRS3 (0.46) FNTAFNTBKMT2AMEN1LTB4R2
SCHEMBL629682 0.70 FNTA (0.69) FNTAFNTBLTB4R2
SCHEMBL628802 0.70 FNTA (0.36) FNTAFNTBKMT2AMEN1

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 2 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
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