SCHEMBL9710892

SCHEMBL9710892

O=S(=O)(O)c1ccccc1C1CCCC(PC2CCCCC2)C1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.33
HSD11B1 P28845 1/20 0.32
PTGES2 Q9H7Z7 1/20 0.32
EPHX1 P07099 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
KMO O15229 1/20 0.31
PTPRC P08575 1/20 0.31
PTPRF P10586 1/20 0.31
PTPN1 P18031 1/20 0.31
CDC25B P30305 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL9099602 0.85 HSD11B1 (0.38) PTGS2PTGDR2HSD11B1MEN1KMT2A
SCHEMBL4279326 0.83 PTGS2 (0.46) PTGS2PTGDR2HSD11B1PTGES2ALDH1A1
SCHEMBL27952944 0.82 PTGS2 (0.45) PTGS2PTGDR2HSD11B1PTGES2ALDH1A1
SCHEMBL778291 0.78 HSD11B1 (0.36) PTGS2PTGDR2HSD11B1PTGES2MEN1
SCHEMBL29219511 0.75 HSD11B1 (0.48) PTGS2HSD11B1LMNACA1CA2
SCHEMBL9097473 0.75 HSD11B1 (0.48) PTGS2HSD11B1LMNACA1CA2
SCHEMBL9098609 0.75 HSD11B1 (0.41) PTGS2PTGDR2HSD11B1ALDH1A1LMNA
SCHEMBL16712192 0.72 MEN1 (0.44) PTGS2HSD11B1MEN1KMT2AALDH1A1
SCHEMBL8368970 0.72 HSD11B1 (0.41) HSD11B1MEN1KMT2AALDH1A1KDM4E
SCHEMBL16816963 0.71 TSHR (0.59) MEN1KMT2AALDH1A1KDM4ELMNA

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
EP-0254937-B1 HYDROFORMYLATION USING LOW VOLATILE/ORGANIC SOLUBLE PHOSPHINE LIGANDS UNION CARBIDE CORPORATION (US) 1992-03-25 EP disclosed
EP-0254937-A2 Hydroformylation using low volatile/organic soluble phosphine ligands UNION CARBIDE CORPORATION (US) 1988-02-03 EP disclosed