SCHEMBL8800669

SCHEMBL8800669

CSCC[C@H](NC(=O)CN1C(=O)C(N(C)C(=O)C(N)CSSC(C)(C)C)N=C(c2ccccc2)c2ccccc21)C(=O)OC(C)(C)C

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.54
FNTB P49356 1/20 0.54
OXTR P30559 6/20 0.38
HDAC3 O15379 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
CCKAR P32238 1/20 0.38
CCKBR P32239 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
SCN9A Q15858 1/20 0.37

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
SCHEMBL8801159 0.95 FNTA (0.60) FNTAFNTBOXTRHDAC3HDAC1
SCHEMBL8801168 0.90 FNTA (0.52) FNTAFNTBOXTRCCKARCTSL
SCHEMBL29450579 0.84 FNTA (0.74) FNTAFNTBOXTRHDAC3HDAC1
SCHEMBL8801152 0.84 FNTA (0.56) FNTAFNTBOXTRHDAC3HDAC1
SCHEMBL8800911 0.84 FNTA (0.45) FNTAFNTBOXTRCTSLCTSB
SCHEMBL8671362 0.83 FNTA (0.43) FNTAFNTBHDAC3HDAC1HDAC8
SCHEMBL8801922 0.83 FNTA (0.58) FNTAFNTBHDAC3HDAC1HDAC8
SCHEMBL8802465 0.83 FNTA (0.55) FNTAFNTBOXTRHDAC3HDAC1
SCHEMBL8801630 0.82 FNTA (0.43) FNTAFNTBCTSLCTSB
SCHEMBL8801416 0.82 FNTA (0.64) FNTAFNTBOXTRHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994026723-A2 ras FARNESYL TRANSFERASE INHIBITORS GENENTECH, INC. (US) 1994-11-24 WO claimed
EP-0763537-A2 Non-peptidyl Ras farnesyl transferase inhibitors GENENTECH, INC. (US) 1997-03-19 EP disclosed
EP-0698015-A1 PREPARATION OF N-CYANODITHIOIMINO-CARBONATES AND 3-MERCAPTO-5-AMINO-1H-1,2,4-TRIAZOLE GENENTECH, INC. (US) 1996-02-28 EP disclosed
WO-1994026723-A2 ras FARNESYL TRANSFERASE INHIBITORS GENENTECH, INC. (US) 1994-11-24 WO disclosed