SCHEMBL9518302

SCHEMBL9518302

COC(=O)CC(=O)CC(O)/C=C/c1c(-c2ccc(F)cc2)cn(C(C)C)c1C(C)C

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 7/20 0.66
ESR1 P03372 1/20 0.37
CHRM1 P11229 1/20 0.37
TBXA2R P21731 1/20 0.37
PDE4A P27815 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL9518404 0.89 HMGCR (0.65) HMGCR
SCHEMBL9521423 0.88 HMGCR (0.79) HMGCR
SCHEMBL9518920 0.86 HMGCR (0.67) HMGCR
SCHEMBL9521396 0.84 HMGCR (0.68) HMGCR
SCHEMBL10590772 0.83 HMGCR (0.47) HMGCR
SCHEMBL9751000 0.79 HMGCR (1.00) HMGCR
SCHEMBL9750927 0.78 HMGCR (0.66) HMGCR
SCHEMBL9750860 0.77 HMGCR (0.78) HMGCR
SCHEMBL6962901 0.76 HMGCR (0.49) HMGCRESR1CHRM1TBXA2RPDE4A
SCHEMBL8949894 0.76 HMGCR (0.58) HMGCRESR1CHRM1TBXA2RPDE4A

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
EP-0300249-B1 7-[1H-pyrrol-3-yl]-substituted 3,5-dihydroxy-heptane acids, their corresponding delta-lactones and salts, processes for their manufacture, their use as medicines, pharmaceutical preparations and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1993-02-03 EP disclosed
US-5055484-A Anticholesterol and antilipemic agent HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-08 US disclosed
EP-0300249-A1 7-[1H-pyrrol-3-yl]-substituted 3,5-dihydroxy-heptane acids, their corresponding delta-lactones and salts, processes for their manufacture, their use as medicines, pharmaceutical preparations and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1989-01-25 EP disclosed