SCHEMBL9750899

SCHEMBL9750899

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

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 5/20 0.46
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PTGS2 P35354 2/20 0.34
RIPK3 Q9Y572 1/20 0.34
CXCR5 P32302 1/20 0.33
APLNR P35414 1/20 0.33
CCR6 P51684 1/20 0.33

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
SCHEMBL9750902 1.00 HMGCR (0.46) HMGCRKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL9518289 0.88 HMGCR (0.47) HMGCRKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL9521513 0.87 HMGCR (0.55) HMGCRKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL9750922 0.87 HMGCR (0.55) HMGCRKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL9756864 0.79 HMGCR (0.38) HMGCRKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL9756865 0.79 HMGCR (0.38) HMGCRKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL9756723 0.78 PTGS2 (0.39) HMGCRKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL9756726 0.78 PTGS2 (0.39) HMGCRKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL9764621 0.77 HMGCR (0.41) HMGCRKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL9518519 0.76 HMGCR (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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