SCHEMBL21697802

SCHEMBL21697802

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

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.63
ALDH1A1 P00352 1/20 0.63
ICMT O60725 13/20 0.52
FNTA P49354 3/20 0.52
FNTB P49356 3/20 0.52
MEN1 O00255 1/20 0.48
TRPA1 O75762 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL3419800 1.00 MAPT (0.63) MAPTALDH1A1ICMTFNTAFNTB
SCHEMBL3419794 1.00 MAPT (0.63) MAPTALDH1A1ICMTFNTAFNTB
SCHEMBL3419797 1.00 MAPT (0.63) MAPTALDH1A1ICMTFNTAFNTB
SCHEMBL13253048 0.94 MAPT (0.63) MAPTALDH1A1ICMTFNTAFNTB
SCHEMBL21697673 0.94 MAPT (0.63) MAPTALDH1A1ICMTFNTAFNTB
SCHEMBL3418922 0.94 MAPT (0.63) MAPTALDH1A1ICMTFNTAFNTB
SCHEMBL3418924 0.94 MAPT (0.63) MAPTALDH1A1ICMTFNTAFNTB
SCHEMBL3419821 0.94 MAPT (0.63) MAPTALDH1A1ICMTFNTAFNTB
SCHEMBL3419823 0.94 MAPT (0.63) MAPTALDH1A1ICMTFNTAFNTB
SCHEMBL3418919 0.94 MAPT (0.63) MAPTALDH1A1ICMTFNTAFNTB

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
EP-3330252-B1 ISOPRENYL COMPOUNDS AND METHODS THEREOF SIGNUM BIOSCIENCES INC (US) 2020-02-12 EP disclosed