SCHEMBL8801152

SCHEMBL8801152

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

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.56
FNTB P49356 1/20 0.56
SCN9A Q15858 2/20 0.42
HDAC3 O15379 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
OXTR P30559 2/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
CCKAR P32238 2/20 0.40
CCKBR P32239 2/20 0.40

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
SCHEMBL8801922 0.90 FNTA (0.58) FNTAFNTBSCN9AHDAC3HDAC1
SCHEMBL29450579 0.85 FNTA (0.74) FNTAFNTBHDAC3HDAC1HDAC8
SCHEMBL8801159 0.85 FNTA (0.60) FNTAFNTBHDAC3HDAC1HDAC8
SCHEMBL8800669 0.84 FNTA (0.54) FNTAFNTBSCN9AHDAC3HDAC1
SCHEMBL8801155 0.84 FNTA (0.51) FNTAFNTBSCN9AHDAC3HDAC1
SCHEMBL8802185 0.83 FNTA (0.59) FNTAFNTBHDAC3HDAC1HDAC8
SCHEMBL8669186 0.81 CCKBR (0.50) SCN9AHDAC3HDAC1HDAC8HDAC6
SCHEMBL8668577 0.81 FNTA (0.43) FNTAFNTBSCN9AHDAC3HDAC1
SCHEMBL8801488 0.80 FNTA (0.51) FNTAFNTBHDAC3HDAC1HDAC8
SCHEMBL8801920 0.79 FNTA (0.51) FNTAFNTBSCN9AOXTRCCKAR

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
US-5532359-A FUNGICIDES GENENTECH, INC. (US) 1996-07-02 US disclosed
WO-1994026723-A2 ras FARNESYL TRANSFERASE INHIBITORS GENENTECH, INC. (US) 1994-11-24 WO disclosed