SCHEMBL630026

SCHEMBL630026

COC(=O)[C@H](CCSC)NC(=O)c1ccc(CN(C)CCC2=CCCCC2)cc1-c1ccccc1C

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.54
FNTB P49356 5/20 0.54
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL628433 0.93 FNTA (0.59) FNTAFNTB
SCHEMBL6625746 0.84 FNTA (0.69) FNTAFNTB
SCHEMBL630025 0.82 FNTA (0.54) FNTAFNTB
SCHEMBL628935 0.82 SMN1; SMN2 (0.46) FNTAFNTB
SCHEMBL628801 0.82 L3MBTL1 (0.41) ALDH1A1
SCHEMBL628869 0.81 FNTA (0.57) FNTAFNTB
SCHEMBL7909038 0.80 FNTA (0.70) FNTAFNTB
SCHEMBL7909037 0.80 FNTA (0.70) FNTAFNTB
SCHEMBL628444 0.79 NPSR1 (0.40) ALDH1A1
SCHEMBL629257 0.79 FNTA (0.69) 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 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