SCHEMBL2653267

SCHEMBL2653267

O=C(O)C1(c2ccc(S(=O)(=O)CCCO)cc2C2CCCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 6/20 0.38
▸ CNR2 P34972 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ POLB P06746 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ PTGDR2 Q9Y5Y4 2/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ CTDSP1 Q9GZU7 1/20 0.31
▸ LOX P28300 1/20 0.31
▸ BDKRB1 P46663 1/20 0.31
▸ NPC1 O15118 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
SCHEMBL2652919 0.86 CNR2 (0.36) CNR2CYP3A4POLBRAB9APTGDR2
SCHEMBL2653840 0.83 STAT3 (0.37) CYP3A4POLBPTGDR2CTDSP1
SCHEMBL2652827 0.81 PTGS2 (0.42) CNR2CYP3A4
SCHEMBL2653280 0.80 PTGS2 (0.44) CNR2CYP3A4
SCHEMBL2652798 0.77 ALDH1A1 (0.42) CYP3A4POLB
SCHEMBL2655064 0.76 NAMPT (0.41) —
SCHEMBL2653194 0.72 CYP3A4 (0.39) CYP3A4PTGDR2
SCHEMBL2653490 0.71 CYP3A4 (0.41) CYP3A4PTGDR2
SCHEMBL2654413 0.71 PTGDR2 (0.51) CYP3A4POLBRAB9APTGDR2NPC1
SCHEMBL2653857 0.71 PNMT (0.37) CNR2POLBCTDSP1

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-1585739-A1 SUBSTITUTED ARYLCYCLOPROPYLACETAMIDES AS GLUCOKINASE ACTIVATORS ELI LILLY AND COMPANY (US) 2005-10-19 — — EP disclosed
WO-2004063179-A1 SUBSTITUTED ARYLCYCLOPROPYLACETAMIDES AS GLUCOKINASE ACTIVATORS ELI LILLY AND COMPANY (US) 2004-07-29 — — WO disclosed
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