SCHEMBL5274733

SCHEMBL5274733

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 1.00
ALDH1A1 P00352 1/20 1.00
ICMT O60725 14/20 0.67
MEN1 O00255 1/20 0.61
TRPA1 O75762 1/20 0.61
KMT2A Q03164 1/20 0.61
FNTA P49354 1/20 0.56
FNTB P49356 1/20 0.56

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
SCHEMBL5423426 1.00 MAPT (1.00) MAPTALDH1A1ICMTMEN1TRPA1
SCHEMBL8025173 1.00 MAPT (1.00) MAPTALDH1A1ICMTMEN1TRPA1
SCHEMBL2818645 1.00 MAPT (1.00) MAPTALDH1A1ICMTMEN1TRPA1
SCHEMBL5433147 1.00 MAPT (1.00) MAPTALDH1A1ICMTMEN1TRPA1
SCHEMBL664393 1.00 MAPT (1.00) MAPTALDH1A1ICMTMEN1TRPA1
SCHEMBL1648111 1.00 MAPT (1.00) MAPTALDH1A1ICMTMEN1TRPA1
SCHEMBL4024890 1.00 MAPT (1.00) MAPTALDH1A1ICMTMEN1TRPA1
SCHEMBL2818639 1.00 MAPT (1.00) MAPTALDH1A1ICMTMEN1TRPA1
SCHEMBL1648108 1.00 MAPT (1.00) MAPTALDH1A1ICMTMEN1TRPA1
SCHEMBL1762100 0.99 MAPT (0.97) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1009833-B1 PRENYLCYSTEINE CARBOXYL METHYL-TRANSFERASE, DNA ENCONDING SAME, AND A METHOD OF SCREENING FOR INHIBITORS THEREOF UNIV NEW YORK (US) 2007-12-12 EP disclosed
US-6432403-B1 INHIBITORS OF CARBOXYL METHYLATION IN TREATMENT OF INFLAMMATION AND CANCER; SPECIFIC FOR AN EPITOPE OF THE PROTEIN CONSISTING OF THE AMINO ACID SEQUENCE OF SEQ ID NO:5 NEW YORK UNIVERSITY 2002-08-13 US disclosed
US-6184016-B1 AMINO ACID SEQUENCE OF ENZYME INVOLVED IN POST-TRANSLATIONAL MODIFICATION OF PRENYLATED PROTEINS; FOR SCREENING OF ENZYME INHIBITORS; ANTIINFLAMMATORY/ANTICARCINOGENIC AGENTS NEW YORK UNIVERSITY 2001-02-06 US disclosed