SCHEMBL8106918

SCHEMBL8106918

COC(=O)c1cccc(-c2ccc(NC[C@@H](N)CS)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FNTA P49354 11/20 1.00
FNTB P49356 11/20 1.00
PGGT1B P53609 7/20 1.00
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
PLAU P00749 2/20 0.51
PLAT P00750 1/20 0.49

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
SCHEMBL8586902 0.86 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL8097474 0.86 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL8107197 0.78 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL68931 0.77 CA12 (0.69) FNTAFNTBPGGT1BCA12CA1
SCHEMBL8112651 0.76 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL8097487 0.76 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL27715902 0.76 CA12 (0.71) FNTAFNTBPGGT1BCA12CA1
SCHEMBL8097476 0.75 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL67941 0.74 CA12 (0.68) FNTAFNTBPGGT1BCA12CA1
SCHEMBL2569067 0.74 LOXL2 (0.71) FNTAFNTBPGGT1BCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6011175-A Inhibition of farnesyltransferase UNIVERSITY OF PITTSBURGH (US) 2000-01-04 US disclosed
US-5965539-A PEPTIDOMIMETICS; ANTI-CANCER DRUGS UNIVERISTY OF PITTSBURGH (US) 1999-10-12 US disclosed
EP-0794789-A4 INHIBITORS OF PRENYL TRANSFERASES UNIV PITTSBURGH (US) 1999-05-26 EP disclosed
EP-0794789-A1 INHIBITORS OF PRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1997-09-17 EP disclosed
WO-1996021456-A1 INHIBITORS OF PRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1996-07-18 WO disclosed