SCHEMBL20218641

SCHEMBL20218641

C=CC(CSC/C=C(\C)CC/C=C(\C)CCC=C(C)C)NC(=O)CCc1cccs1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
ICMT O60725 14/20 0.43
TRPV1 Q8NER1 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 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
SCHEMBL20218708 0.88 ICMT (0.47) ALDH1A1MAPTICMTFNTAFNTB
SCHEMBL1819477 0.86 ALDH1A1 (0.61) ALDH1A1MAPTICMTFNTAFNTB
SCHEMBL20218721 0.86 ALDH1A1 (0.61) ALDH1A1MAPTICMTFNTAFNTB
SCHEMBL1819478 0.86 ALDH1A1 (0.61) ALDH1A1MAPTICMTFNTAFNTB
SCHEMBL1819474 0.86 ALDH1A1 (0.61) ALDH1A1MAPTICMTFNTAFNTB
SCHEMBL20218863 0.75 MAPT (0.50) ALDH1A1MAPTICMTFNTAFNTB
SCHEMBL20843591 0.75 ALDH1A1 (0.45) ALDH1A1MAPTICMTFNTAFNTB
SCHEMBL21697683 0.72 MAPT (0.57) ALDH1A1MAPTICMTFNTAFNTB
SCHEMBL11858048 0.72 KMT2A (0.48) ALDH1A1MAPTFNTAFNTB
SCHEMBL11858039 0.72 KMT2A (0.48) ALDH1A1MAPTFNTAFNTB

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
EP-3330252-B1 ISOPRENYL COMPOUNDS AND METHODS THEREOF SIGNUM BIOSCIENCES INC (US) 2020-02-12 EP disclosed
EP-3330252-A2 ISOPRENYL COMPOUNDS AND METHODS THEREOF Signum Biosciences, Inc. (US) 2018-06-06 EP disclosed