SCHEMBL8838752

SCHEMBL8838752

O[C@@H](CCCCC1CCCCC1)COCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.51
POLB P06746 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
SIGMAR1 Q99720 1/20 0.46
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
CASR P41180 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL8106389 0.96 CA1 (0.52) CA1POLBCA2CA7CA9
SCHEMBL10547943 0.88 CA1 (0.50) CA1POLBCA2CA7CA9
SCHEMBL8116441 0.82 CA1 (0.55) CA1POLBCA2CA7CA9
SCHEMBL8116438 0.82 CA1 (0.55) CA1POLBCA2CA7CA9
SCHEMBL9662857 0.81 CA1 (0.54) CA1POLBCA2CA7CA9
SCHEMBL7153591 0.80 CA1 (0.76) CA1POLBCA2CA7CA9
SCHEMBL4068078 0.78 SIGMAR1 (0.53) SIGMAR1TSHRMEN1KMT2A
SCHEMBL8117102 0.78 SIGMAR1 (0.41) CA1POLBSIGMAR1MEN1KMT2A
SCHEMBL8116821 0.78 SIGMAR1 (0.41) CA1POLBSIGMAR1MEN1KMT2A
SCHEMBL8121598 0.77 CA1 (0.50) CA1POLBCA2CA7CA9

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
US-5614550-A ANTICHOLESTEROL AGENTS OR ARTERIOSCLEROSIS AGENTS FOR HUMANS SANKYO COMPANY, LIMITED (JP) 1997-03-25 US disclosed
US-5534529-A Substituted aromatic amides and ureas derivatives having anti-hypercholesteremic activity, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 1996-07-09 US disclosed