SCHEMBL6953288

SCHEMBL6953288

COCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 19/20 1.00
ESR1 P03372 1/20 0.53
HMGCR P04035 1/20 0.53
CHRM1 P11229 1/20 0.53
TBXA2R P21731 1/20 0.53
PDE4A P27815 1/20 0.53
ADRA1A P35348 1/20 0.53

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
SCHEMBL7720729 0.93 GCGR (0.86) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL8949822 0.90 GCGR (0.88) GCGR
SCHEMBL8953434 0.90 GCGR (0.81) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9744135 0.88 GCGR (0.78) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9743393 0.88 GCGR (0.78) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL3445407 0.88 GCGR (0.78) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL6962930 0.86 GCGR (0.74) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL6961560 0.86 GCGR (0.74) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL6747779 0.85 GCGR (0.74) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL6871563 0.85 GCGR (0.74) GCGRESR1HMGCRCHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0325130-B1 Substituted pyridines BAYER AG (DE) 2003-11-05 EP disclosed
EP-0705837-B1 Preparation of 3-Oxy-5-oxo-6-heptenoic acid derivatives UBE INDUSTRIES (JP) 2002-08-07 EP disclosed
EP-1123925-A1 Process for preparation of substituted pyridines BAYER AG (DE) 2001-08-16 EP disclosed
EP-1123924-A1 Substituted pyridines as HMG-COA reductase inhibitors BAYER AG (DE) 2001-08-16 EP disclosed
US-5744604-A Preparation of 3-oxy-5-oxo-6-heptenoic acid derivatives UBE INDUSTRIES, LTD. (JP) 1998-04-28 US disclosed
US-5677455-A Preparation of 3-oxy-5-oxo-6-heptenoic acid derivatives UBE INDUSTRIES, LTD. (JP) 1997-10-14 US disclosed
EP-0705837-A2 Preparation of 3-Oxy-5-oxo-6-heptenoic acid derivatives UBE INDUSTRIES, LTD. (JP) 1996-04-10 EP disclosed
US-5401746-A FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND HMG-COA REDUCTASE BAYER AKTIENGESELLSCHAFT (DE) 1995-03-28 US disclosed
US-5169857-A Anticholesterol agents BAYER AKTIENGESELLSCHAFT (DE) 1992-12-08 US disclosed
US-5006530-A Certain 7-[2,6-diisopropyl-4-phenyl-5-lower alkoxymethyl-pyrid-3-yl]-3,5-dihydroxy-6-enoates and derivatives useful for treating circulatory diseases BAYER AKTIENGESELLSCHAFT (DE) 1991-04-09 US disclosed
EP-0325130-A2 Substituted pyridines BAYER AG (DE) 1989-07-26 EP disclosed