SCHEMBL9518289

SCHEMBL9518289

Cc1c(-c2ccc(F)cc2)c(C=O)c(C(C)C)n1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PTGS2 P35354 2/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
AR P10275 1/20 0.36
RIPK3 Q9Y572 1/20 0.36
CXCR5 P32302 1/20 0.35
APLNR P35414 1/20 0.35
CCR6 P51684 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
SCHEMBL9750899 0.88 HMGCR (0.46) HMGCRALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL9750902 0.88 HMGCR (0.46) HMGCRALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL9764621 0.88 HMGCR (0.41) HMGCRALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL9764185 0.86 KDM4E (0.48) HMGCRALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL9518519 0.85 HMGCR (0.54) HMGCRALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL9750893 0.80 KDM4E (0.52) HMGCRALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL9764104 0.77 ALDH1A1 (0.45) ALDH1A1KDM4ETDP1L3MBTL1PTGS2
SCHEMBL9764105 0.77 MEN1 (0.39) HMGCRALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL9518614 0.77 HMGCR (0.48) HMGCRALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL8805119 0.76 ALDH1A1 (0.40) ALDH1A1KDM4ETDP1L3MBTL1PTGS2

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-0239306-B1 TETRAHYDROCARBAZOLE ESTERS MERCK FROSST CANADA INC. (CA) 1993-06-02 EP claimed
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