SCHEMBL9521499

SCHEMBL9521499

CC(C)c1c(CO)c(-c2ccc(F)cc2)cn1C1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.62
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
GCGR P47871 7/20 0.38
RIPK2 O43353 1/20 0.35

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
SCHEMBL9750729 0.81 HMGCR (0.58) HMGCRGLAPOLB
SCHEMBL9518373 0.79 HMGCR (0.58) HMGCRGLAPOLBRIPK2
SCHEMBL9750923 0.77 HMGCR (1.00) HMGCR
SCHEMBL9750803 0.76 HMGCR (0.49) HMGCRGLAPOLBRIPK2
SCHEMBL9518306 0.76 HMGCR (0.81) HMGCR
SCHEMBL9518177 0.75 HMGCR (0.47) HMGCRGCGR
SCHEMBL9518298 0.75 HMGCR (0.59) HMGCRGLAPOLBRIPK2
SCHEMBL9518290 0.75 HMGCR (0.59) HMGCRGLAPOLBRIPK2
SCHEMBL9518598 0.74 HMGCR (0.56) HMGCRRIPK2
SCHEMBL9750938 0.73 HMGCR (0.51) HMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0300657-B1 4-SUBSTITUTED 3-OXOBUTANOATE ESTER DERIVATIVES MERCK & CO. INC. (US) 1993-03-31 EP disclosed
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