SCHEMBL8801159

SCHEMBL8801159

COC(=O)[C@H](CCSC)NC(=O)CN1C(=O)C(N(C)C(=O)C(N)CSSC(C)(C)C)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.60
FNTB P49356 1/20 0.60
OXTR P30559 6/20 0.39
CCKAR P32238 1/20 0.39
CCKBR P32239 1/20 0.39
CTSB P07858 4/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CTSL P07711 3/20 0.38

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
SCHEMBL8800669 0.95 FNTA (0.54) FNTAFNTBOXTRCCKARCCKBR
SCHEMBL8801168 0.91 FNTA (0.52) FNTAFNTBOXTRCCKARCTSB
SCHEMBL29450579 0.90 FNTA (0.74) FNTAFNTBOXTRCCKARCCKBR
SCHEMBL8801152 0.85 FNTA (0.56) FNTAFNTBOXTRCCKARCCKBR
SCHEMBL8800911 0.85 FNTA (0.45) FNTAFNTBOXTRCTSBCTSL
SCHEMBL8801922 0.84 FNTA (0.58) FNTAFNTBCCKARCCKBRCTSB
SCHEMBL8802465 0.84 FNTA (0.55) FNTAFNTBOXTRCCKARCCKBR
SCHEMBL8801630 0.83 FNTA (0.43) FNTAFNTBCTSBCTSL
SCHEMBL8676294 0.83 FNTA (0.48) FNTAFNTBCCKARCCKBRHDAC3
SCHEMBL8801416 0.83 FNTA (0.64) FNTAFNTBOXTRCCKARCCKBR

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-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