SCHEMBL8801232

SCHEMBL8801232

CCCC[C@H](NC(=O)CN1C(=O)C(N(C)C(=O)C(N)CS)N=C(c2ccccc2)c2ccccc21)C(=O)O

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52
OXTR P30559 8/20 0.43
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
CCKBR P32239 2/20 0.41
CCKAR P32238 1/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 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
SCHEMBL8801804 0.92 FNTA (0.54) FNTAFNTBOXTRKDM4ESMN1; SMN2
SCHEMBL8801172 0.91 FNTA (0.52) FNTAFNTBOXTRKDM4ESMN1; SMN2
SCHEMBL29520033 0.90 FNTA (0.64) FNTAFNTBOXTRKDM4ESMN1; SMN2
SCHEMBL8801416 0.90 FNTA (0.64) FNTAFNTBOXTRKDM4ESMN1; SMN2
SCHEMBL8801402 0.89 FNTA (0.51) FNTAFNTBOXTRKDM4ESMN1; SMN2
SCHEMBL8800789 0.89 FNTA (0.51) FNTAFNTBOXTRTP53POLB
SCHEMBL8802052 0.88 FNTA (0.51) FNTAFNTBOXTRKDM4ESMN1; SMN2
SCHEMBL8800732 0.87 FNTA (0.50) FNTAFNTBOXTRKDM4ESMN1; SMN2
SCHEMBL8801396 0.87 FNTA (0.49) FNTAFNTBOXTRTP53POLB
SCHEMBL8801151 0.86 FNTA (0.48) FNTAFNTBOXTRKDM4ESMN1; SMN2

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