SCHEMBL9870958

SCHEMBL9870958

COC(=O)c1c(C(C)C)nc(C(C)C)c(C(=O)O)c1-c1ccc(F)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 13/20 0.72
LMNA P02545 1/20 0.43
DHODH Q02127 1/20 0.43
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43
FABP5 Q01469 1/20 0.43
NPC1 O15118 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
ESR1 P03372 1/20 0.41
HMGCR P04035 1/20 0.41
CHRM1 P11229 1/20 0.41
TBXA2R P21731 1/20 0.41
PDE4A P27815 1/20 0.41
ADRA1A P35348 1/20 0.41
DPP4 P27487 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
SCHEMBL6565362 0.95 GCGR (0.79) GCGRLMNADHODHNPC1CASP3
SCHEMBL8949663 0.91 GCGR (0.61) GCGRLMNADHODHFABP3FABP4
SCHEMBL2651071 0.90 GCGR (0.56) GCGRFABP3FABP4FABP5DPP4
SCHEMBL9745151 0.88 GCGR (0.60) GCGRLMNADHODHFABP3FABP4
SCHEMBL5102048 0.88 GCGR (0.70) GCGRLMNADHODHNPC1CASP3
SCHEMBL5101592 0.85 GCGR (0.57) GCGRLMNADHODHFABP3FABP4
SCHEMBL5095186 0.84 GCGR (0.56) GCGRLMNADHODHNPC1CASP3
SCHEMBL5094915 0.84 GCGR (0.59) GCGRLMNADHODHNPC1CASP3
SCHEMBL2647513 0.84 GCGR (1.00) GCGR
SCHEMBL5098308 0.83 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