SCHEMBL21697664

SCHEMBL21697664

CC(C)=CCC/C(C)=C/CC/C(C)=C/CSCC(C)NC(=O)CCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.58
ICMT O60725 12/20 0.56
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
FNTA P49354 1/20 0.48
FNTB P49356 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
SCHEMBL20218753 0.87 ICMT (0.52) TRPV1ICMTALDH1A1MAPT
SCHEMBL20843606 0.84 ICMT (0.47) ICMTALDH1A1MAPTFNTAFNTB
SCHEMBL20218708 0.84 ICMT (0.47) ICMTALDH1A1MAPTFNTAFNTB
SCHEMBL20218871 0.82 MAPT (0.58) ICMTALDH1A1MAPTFNTAFNTB
SCHEMBL20218817 0.82 ICMT (0.52) ICMTALDH1A1MAPT
SCHEMBL20218711 0.81 MAPT (0.57) ICMTALDH1A1MAPTFNTAFNTB
SCHEMBL21697697 0.80 MAPT (0.56) ICMTALDH1A1MAPTFNTAFNTB
SCHEMBL20218620 0.80 MAPT (0.56) ICMTALDH1A1MAPTFNTAFNTB
SCHEMBL20218784 0.80 MAPT (0.56) ICMTALDH1A1MAPTFNTAFNTB
SCHEMBL20843592 0.79 MAPT (0.71) ICMTALDH1A1MAPTFNTAFNTB

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