SCHEMBL9518442

SCHEMBL9518442

CC(C)c1c(CO)c(-c2ccc(F)cc2)cn1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.51
GCGR P47871 5/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
GLA P06280 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
ABCB1 P08183 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ATM Q13315 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
SCHEMBL9750959 0.82 ABCB1 (0.49) HMGCRALDH1A1MEN1GLAMAPT
SCHEMBL9750852 0.81 HMGCR (0.53) HMGCRALDH1A1MEN1MAPTHPGD
SCHEMBL9750837 0.77 HMGCR (0.58) HMGCRALDH1A1MAPTABCB1TDP1
SCHEMBL8846389 0.77 HMGCR (0.55) HMGCRALDH1A1MEN1MAPTKMT2A
SCHEMBL9518177 0.77 HMGCR (0.47) HMGCRGCGR
SCHEMBL9024945 0.76 ELAVL1 (0.44) HMGCRL3MBTL1
SCHEMBL9750809 0.76 HMGCR (0.68) HMGCR
SCHEMBL9518809 0.75 HMGCR (0.43) HMGCRABCB1
SCHEMBL9750901 0.75 HMGCR (0.53) HMGCR
SCHEMBL9750841 0.74 HMGCR (0.48) HMGCRALDH1A1MEN1MAPTKMT2A

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