SCHEMBL22719908

SCHEMBL22719908

CC1OC(C)(C)Oc2c(C(=O)O)ncc(CNc3ccc(C(F)(F)F)cc3)c21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FRK P42685 1/20 0.38
CAMK2B Q13554 1/20 0.38
CAMK2G Q13555 1/20 0.38
CAMK2D Q13557 1/20 0.38
FFAR1 O14842 8/20 0.37
GCGR P47871 4/20 0.36
ASPH Q12797 2/20 0.36
KDM8 Q8N371 2/20 0.36
BRD4 O60885 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
EGLN1 Q9GZT9 1/20 0.33
PPARA Q07869 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RIOX2 Q8IUF8 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
SCHEMBL22719906 0.73 FRK (0.42) FRKCAMK2BCAMK2GCAMK2DFFAR1
SCHEMBL22719922 0.72 FRK (0.40) FRKCAMK2BCAMK2GCAMK2DFFAR1
SCHEMBL22738228 0.72 TRPV1 (0.39) FRKCAMK2BCAMK2GCAMK2D
SCHEMBL22719950 0.61 MAOB (0.39)
SCHEMBL16211464 0.59 EPHX2 (0.57) FRKCAMK2BCAMK2GCAMK2DFFAR1
SCHEMBL20236549 0.59 FFAR1 (0.69) FFAR1ASPHKDM8PTGDR2PPARA
SCHEMBL29806160 0.58 DHODH (0.44)
SCHEMBL22932198 0.58 DHODH (0.44)
Acetic Acid SCHEMBL29202236 0.58 EPHX2 (0.52) FFAR1
SCHEMBL951015 0.57 FFAR1 (0.58) FFAR1

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
WO-2020237374-A1 PICOLINIC ACID DERIVATIVES AND USE THEREOF FOR TREATING DISEASES ASSOCIATED WITH ELEVATED CHOLESTEROL MONTREAL HEART INSTITUTE (CA) 2020-12-03 WO disclosed