SCHEMBL9514015

SCHEMBL9514015

CC(C)c1cc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1S

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.42
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
GCGR P47871 2/20 0.35
PTGS2 P35354 3/20 0.34
PTGS1 P23219 1/20 0.34
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
PPARG P37231 1/20 0.33
RXRG P48443 1/20 0.33
IKBKB O14920 3/20 0.33
CHUK O15111 2/20 0.33
PGR P06401 1/20 0.31

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
SCHEMBL9196802 0.94 HMGCR (0.39) HMGCRGCGRPTGS2PTGS1
SCHEMBL9515012 0.85 HMGCR (0.44) HMGCRGCGRPTGS2PTGS1P2RX3
SCHEMBL9512239 0.79 CA1 (0.53) HMGCRCA1CA2GCGRPTGS1
SCHEMBL28968808 0.77 HMGCR (0.40) HMGCRCA1CA2GCGRPTGS2
SCHEMBL9514348 0.74 CA1 (0.47) HMGCRCA1CA2PTGS2PTGS1
SCHEMBL10026552 0.74 CA1 (0.68) HMGCRCA1CA2GCGRPTGS1
SCHEMBL10304782 0.74 GCGR (0.40) HMGCRCA1CA2GCGRPGR
SCHEMBL9857638 0.72 HMGCR (0.42) HMGCRGCGR
SCHEMBL10094417 0.72 ROCK2 (0.39) HMGCRCA1CA2GCGRPTGS2
SCHEMBL9200036 0.72 GCGR (0.42) HMGCRGCGRPTGS2PTGS1P2RX3

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-0341681-B1 6-Phenoxymethyl-4-hydroxytetrahydropyran-2-ones and 6-thiophenoxymethyl-4-hydroxytetrahydropyran-2-ones, the corresponding dihydrocarboxylic-acid derivatives, salts and esters, process for preparing these compounds, their use as medicines, pharmaceutical compositions and phenols and thiophenols HOECHST AG (DE) 1993-12-29 EP disclosed
US-5166171-A Compounds for treatment of artheriosclerosis and hypercholesterolemia HOECHST AKTIENGESELLSCHAFT (DE) 1992-11-24 US disclosed
EP-0341681-A2 6-Phenoxymethyl-4-hydroxytetrahydropyran-2-ones and 6-thiophenoxymethyl-4-hydroxytetrahydropyran-2-ones, the corresponding dihydrocarboxylic-acid derivatives, salts and esters, process for preparing these compounds, their use as medicines, pharmaceutical compositions and phenols and thiophenols HOECHST AKTIENGESELLSCHAFT (DE) 1989-11-15 EP disclosed