SCHEMBL8012020

SCHEMBL8012020

CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@@H](C=O)NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
ALDH1A1 P00352 1/20 0.54
CTSK P43235 3/20 0.48
MEN1 O00255 1/20 0.47
TRPA1 O75762 1/20 0.47
KMT2A Q03164 1/20 0.47
ICMT O60725 11/20 0.44
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43

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
SCHEMBL4025109 0.84 MAPT (0.74) MAPTALDH1A1MEN1TRPA1KMT2A
SCHEMBL8015122 0.84 MAPT (0.54) MAPTALDH1A1MEN1TRPA1KMT2A
SCHEMBL4254867 0.84 MAPT (0.74) MAPTALDH1A1MEN1TRPA1KMT2A
SCHEMBL4254865 0.84 MAPT (0.74) MAPTALDH1A1MEN1TRPA1KMT2A
SCHEMBL13801039 0.84 MAPT (0.74) MAPTALDH1A1MEN1TRPA1KMT2A
SCHEMBL13780917 0.83 MAPT (0.59) MAPTALDH1A1MEN1TRPA1KMT2A
SCHEMBL5420609 0.83 MAPT (0.59) MAPTALDH1A1MEN1TRPA1KMT2A
SCHEMBL12793888 0.83 MAPT (0.59) MAPTALDH1A1MEN1TRPA1KMT2A
SCHEMBL5420607 0.83 MAPT (0.59) MAPTALDH1A1MEN1TRPA1KMT2A
SCHEMBL21697758 0.82 MAPT (0.60) MAPTALDH1A1MEN1TRPA1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6015877-A ANTICARCINOGENIC AGENT WHICH INHIBITS ENDOPROTEASE ACTIVITY DIRECTED AGAINST SPECIFIC CYSTEINE CONTAINING CARBOXY TERMINAL MOTIF FOUND IN RAS PROTEINS AND OTHER SIGNAL TRANSDUCING G PROTEINS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-01-18 US disclosed