SCHEMBL9872802

SCHEMBL9872802

Cc1nc(C(C)C)c(C(=O)O)c(-c2ccc(F)cc2)c1C=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCGR P47871 16/20 0.45
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
FABP5 Q01469 1/20 0.41
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
ESR1 P03372 1/20 0.40
HMGCR P04035 1/20 0.40
CHRM1 P11229 1/20 0.40
TBXA2R P21731 1/20 0.40
PDE4A P27815 1/20 0.40
ADRA1A P35348 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
SCHEMBL9873412 0.89 GCGR (0.52) GCGRFABP3FABP4FABP5DPP4
SCHEMBL5098482 0.86 GCGR (0.44) GCGRFABP3FABP4FABP5DPP4
SCHEMBL27293870 0.85 GCGR (0.49) GCGRFABP3FABP4FABP5DPP4
SCHEMBL6955874 0.84 GCGR (0.61) GCGR
SCHEMBL8949673 0.84 GCGR (0.50) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9870499 0.83 GCGR (0.47) GCGRFABP3FABP4FABP5DPP4
SCHEMBL2651071 0.82 GCGR (0.56) GCGRFABP3FABP4FABP5DPP4
SCHEMBL9870560 0.80 GCGR (0.50) GCGRFABP3FABP4FABP5DPP4
SCHEMBL8949663 0.79 GCGR (0.61) GCGRFABP3FABP4FABP5DPP4
SCHEMBL5098308 0.79 GCGR (0.50) GCGRFABP3FABP4FABP5DPP4

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
US-4997837-A Enzyme inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-05 US disclosed
US-4906624-A 6-(((Substituted)pyridin-3-yl)alkyl)-and alkenyl)-tetrahydro-4-hydroxypyran-2-one inhibitors of cholesterol biosynthesis WARNER-LAMBERT COMPANY (US) 1990-03-06 US disclosed
EP-0306929-A2 6-[[(Substituted)pyridin-3-YL]alkyl]-and alkenyl]-tetrahydro-4-hydroxypyran-2-one inhibitors of cholesterol biosynthesis WARNER-LAMBERT COMPANY (US) 1989-03-15 EP disclosed