SCHEMBL21542529

SCHEMBL21542529

CC(C)CCCC(C)CCC(=O)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
GSK3B P49841 2/20 0.44
HRH3 Q9Y5N1 4/20 0.44
TRPA1 O75762 1/20 0.43
POLB P06746 1/20 0.42
BLM P54132 1/20 0.42
USP5 P45974 1/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 1/20 0.41
HSD11B1 P28845 1/20 0.40
ERCC5 P28715 1/20 0.40
FEN1 P39748 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
SCHEMBL7426211 0.87 TRPA1 (0.54) L3MBTL1GSK3BHRH3TRPA1POLB
SCHEMBL21561548 0.84 HRH3 (0.41) L3MBTL1GSK3BHRH3POLBUSP5
SCHEMBL8465395 0.77 USP5 (0.41) L3MBTL1GSK3BHRH3POLBUSP5
SCHEMBL7543318 0.74 HDAC1 (0.50) L3MBTL1KMT2A
SCHEMBL3010586 0.73 ERCC5 (0.49) L3MBTL1GSK3BHRH3POLBUSP5
SCHEMBL16552727 0.73 GSK3B (0.70) L3MBTL1GSK3BKMT2ANPC1RAB9A
SCHEMBL6410944 0.72 POLB (0.60) L3MBTL1GSK3BPOLBKMT2ANPC1
SCHEMBL27909990 0.72 L3MBTL1 (0.59) L3MBTL1GSK3BHRH3POLBKMT2A
SCHEMBL7685854 0.71 NPC1 (0.68) L3MBTL1TRPA1POLBBLMNPC1
SCHEMBL9719602 0.71 GSK3B (0.55) L3MBTL1GSK3BHRH3KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11161102-B2 Iminium salt organocatalysts, method of making, and methods of using UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2021-11-02 US disclosed
US-11161102-B2 Iminium salt organocatalysts, method of making, and methods of using UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2021-11-02 US disclosed
US-20190344253-A1 IMINIUM SALT ORGANOCATALYSTS, METHOD OF MAKING, AND METHODS OF USING UNIV VIRGINIA PATENT FOUNDATION (US) 2019-11-14 US disclosed
US-20190344253-A1 IMINIUM SALT ORGANOCATALYSTS, METHOD OF MAKING, AND METHODS OF USING UNIV VIRGINIA PATENT FOUNDATION (US) 2019-11-14 US disclosed