SCHEMBL9518489

SCHEMBL9518489

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

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.56
GCGR P47871 6/20 0.42
AR P10275 2/20 0.41
PRKAA2 P54646 1/20 0.41
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GLA P06280 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGS2 P35354 1/20 0.39
GRIA1 P42261 1/20 0.38
CACNG8 Q8WXS5 1/20 0.38
CACNG2 Q9Y698 1/20 0.38

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
SCHEMBL9518614 0.85 HMGCR (0.48) HMGCRGCGRALDH1A1TDP1L3MBTL1
SCHEMBL9750959 0.73 ABCB1 (0.49) HMGCRMEN1ALDH1A1GLAMAPT
SCHEMBL9518519 0.73 HMGCR (0.54) HMGCRARALDH1A1TDP1L3MBTL1
SCHEMBL9750820 0.73 AR (0.71) HMGCRARMEN1ALDH1A1MAPT
SCHEMBL9750922 0.72 HMGCR (0.55) HMGCRARMEN1ALDH1A1KMT2A
SCHEMBL9521513 0.72 HMGCR (0.55) HMGCRARMEN1ALDH1A1KMT2A
SCHEMBL9751001 0.72 HMGCR (1.00) HMGCR
SCHEMBL9518354 0.71 AR (0.48) HMGCRARMEN1ALDH1A1MAPT
SCHEMBL17911742 0.71 KMT2A (0.52) ARMEN1ALDH1A1KMT2APTGS2
SCHEMBL10514975 0.70 TAAR1 (0.48) MEN1ALDH1A1MAPTHPGDKMT2A

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