SCHEMBL9518614

SCHEMBL9518614

Cc1c(-c2ccc(F)cc2)c(CO)c(C(C)C)n1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GCGR P47871 11/20 0.46

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
SCHEMBL9518489 0.85 HMGCR (0.56) HMGCRALDH1A1TDP1L3MBTL1GCGR
SCHEMBL9750893 0.80 KDM4E (0.52) HMGCRKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL9518289 0.77 HMGCR (0.47) HMGCRKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL9751023 0.76 HMGCR (0.83) HMGCR
SCHEMBL9750867 0.75 HMGCR (0.66) HMGCR
SCHEMBL9750808 0.75 HMGCR (0.51) HMGCRKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL9658391 0.74 GCGR (0.43) HMGCRKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL9750928 0.74 HMGCR (0.55) HMGCR
SCHEMBL9518442 0.74 HMGCR (0.51) HMGCRKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL9750902 0.73 HMGCR (0.46) HMGCRKDM4EALDH1A1TDP1L3MBTL1

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