SCHEMBL11548381

SCHEMBL11548381

CC(=O)OC1C=C[C@H](OC(C)=O)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.42
CA9 Q16790 4/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.35
POLB P06746 1/20 0.34
CHRM2 P08172 6/20 0.34
CHRM4 P08173 4/20 0.34
CHRM1 P11229 4/20 0.34
CHRM3 P20309 4/20 0.34
CHRM5 P08912 2/20 0.34
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2290500 1.00 CA12 (0.42) CA12CA9CA1CA2TSHR
SCHEMBL11548379 1.00 CA12 (0.42) CA12CA9CA1CA2TSHR
SCHEMBL11746006 1.00 CA12 (0.42) CA12CA9CA1CA2TSHR
SCHEMBL254386 1.00 CA12 (0.42) CA12CA9CA1CA2TSHR
SCHEMBL19464089 0.91 CA12 (0.38) CA12CA9CA1CA2TSHR
SCHEMBL6561491 0.89 CA12 (0.37) CA12CA9CA1CA2TSHR
SCHEMBL8490943 0.89 CA12 (0.43) CA12CA9CA1CA2TSHR
SCHEMBL11835924 0.87 CA12 (0.40) CA12CA9CA1CA2TSHR
SCHEMBL11835919 0.87 CA12 (0.40) CA12CA9CA1CA2TSHR
SCHEMBL9600313 0.87 CA12 (0.40) CA12CA9CA1CA2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020041270-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF FOG PHARMACEUTICALS, INC. (US) 2020-02-27 WO disclosed
US-4132726-A INTERMEDIATES FOR PROSTAGLANDIN COMPOUNDS TEIJIN LIMITED (JP) 1979-01-02 US disclosed
US-4008125-A New cyclopentene-diols and new acyl esters thereof and process for their preparation TEIJIN LIMITED (JA) 1977-02-15 US disclosed