SCHEMBL629753

SCHEMBL629753

CCCC(CC1CCCCC1)NC(=O)Cc1ccc(C(=O)OC)c(-c2ccccc2C)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42

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
SCHEMBL7862378 0.84 FNTA (0.57) FNTAFNTB
SCHEMBL6623568 0.82 FNTA (0.66) FNTAFNTB
SCHEMBL7870335 0.82 FNTA (0.65) FNTAFNTB
SCHEMBL629649 0.81 FNTA (0.37) FNTAFNTB
SCHEMBL7869097 0.81 NPC1 (0.56)
SCHEMBL6627714 0.78
Decarboxylated Derivative SCHEMBL628807 0.77 FNTA (0.41) FNTAFNTB
Decarboxylated Derivative SCHEMBL629210 0.77 FNTA (0.41) FNTAFNTB
SCHEMBL7906963 0.76
SCHEMBL7870257 0.76 MEN1 (0.47) 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 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