SCHEMBL12656233

SCHEMBL12656233

C=C(CCC(=O)O)N[C@@H](CSC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.74
ALDH1A1 P00352 1/20 0.74
ICMT O60725 14/20 0.60
MEN1 O00255 1/20 0.56
TRPA1 O75762 1/20 0.56
KMT2A Q03164 1/20 0.56
FNTA P49354 2/20 0.54
FNTB P49356 2/20 0.54

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
SCHEMBL21697812 0.90 MAPT (0.69) MAPTALDH1A1ICMTMEN1TRPA1
SCHEMBL18739961 0.88 MAPT (0.77) MAPTALDH1A1ICMTMEN1TRPA1
SCHEMBL14328063 0.88 MAPT (0.77) MAPTALDH1A1ICMTMEN1TRPA1
SCHEMBL18298108 0.88 MAPT (0.77) MAPTALDH1A1ICMTMEN1TRPA1
SCHEMBL1814594 0.88 MAPT (0.77) MAPTALDH1A1ICMTMEN1TRPA1
SCHEMBL1814592 0.88 MAPT (0.77) MAPTALDH1A1ICMTMEN1TRPA1
SCHEMBL19859350 0.88 MAPT (0.77) MAPTALDH1A1ICMTMEN1TRPA1
SCHEMBL13367293 0.87 MAPT (0.72) MAPTALDH1A1ICMTMEN1TRPA1
SCHEMBL21045073 0.87 MAPT (0.76) MAPTALDH1A1ICMTMEN1TRPA1
SCHEMBL2821553 0.87 MAPT (0.76) MAPTALDH1A1ICMTMEN1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011060330-A1 USE OF ANTI-BACTERIAL AGENTS FOR THE TREATMENT OF EPITHELIAL-RELATED CONDITIONS SIGNUM BIOSCIENCES, INC. (US) 2011-05-19 WO disclosed
WO-2010056778-A1 ISOPRENYL COMPOUNDS AND METHODS THEREOF SIGNUM BIOSCIENCES, INC. (US) 2010-05-20 WO disclosed