SCHEMBL9520263

SCHEMBL9520263

CC(C)c1cc(-c2ccccc2)cc(-c2ccc(F)cc2)c1C=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 5/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS2 P35354 2/20 0.38
GPR84 Q9NQS5 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
USP1 O94782 1/20 0.35
WDR48 Q8TAF3 1/20 0.35
PTGS1 P23219 1/20 0.35
HPRT1 P00492 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
SCHEMBL9857896 0.84 PTGS2 (0.39) MEN1RAB9AKMT2APTGS2USP1
SCHEMBL9857094 0.81 PTGS2 (0.41) HMGCRMEN1RAB9AKMT2APTGS2
SCHEMBL9196802 0.78 HMGCR (0.39) HMGCRMEN1KMT2APTGS2USP1
SCHEMBL9514348 0.78 CA1 (0.47) HMGCRMEN1KMT2APTGS2CA1
SCHEMBL9042683 0.78 CA12 (0.43) PTGS2CA12CA1CA2CA9
SCHEMBL9857627 0.78 AKR1C3 (0.36)
SCHEMBL9857543 0.78 HMGCR (0.44) HMGCRMEN1RAB9AKMT2APTGS2
SCHEMBL9857638 0.76 HMGCR (0.42) HMGCR
SCHEMBL8878341 0.76 HMGCR (0.57) HMGCR
SCHEMBL8876648 0.75 HMGCR (0.59) HMGCRMEN1RAB9AKMT2A

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-0302253-B1 3-DEMETHYL-4-FLUORO-MEVALONIC-ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS BASED ON THOSE COMPOUNDS, THEIR USE AND INTERMEDIATES HOECHST AKTIENGESELLSCHAFT (DE) 1993-04-07 EP disclosed
US-4898868-A ANTICHOLESTEROL AGENTS; LACTONE OR FREE ACID FORM HOECHST AKTIENGESELLSCHAFT (DE) 1990-02-06 US disclosed
EP-0302253-A1 3-Demethyl-4-fluoro-mevalonic-acid derivatives, process for their preparation, pharmaceutical preparations based on those compounds, their use and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1989-02-08 EP disclosed