SCHEMBL8097487

SCHEMBL8097487

COc1cc(NC[C@@H](N)CS)ccc1-c1cccc(C(=O)O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FNTA P49354 14/20 1.00
FNTB P49356 14/20 1.00
PGGT1B P53609 9/20 1.00
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL8097474 0.81 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL8586902 0.81 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL8106918 0.76 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL8869530 0.74 FNTA (0.63) FNTAFNTBPGGT1B
SCHEMBL8868864 0.73 FNTA (0.69) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8868606 0.73 FNTA (0.62) FNTAFNTBPGGT1B
SCHEMBL629747 0.73 FNTA (0.57) FNTAFNTBPGGT1B
SCHEMBL15331422 0.73 FNTA (0.57) FNTAFNTBPGGT1B
SCHEMBL4171948 0.72 CYP2C8 (0.69) FNTAFNTBPGGT1BTDP1
SCHEMBL8934722 0.72 FNTA (0.62) FNTAFNTBPGGT1B

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