SCHEMBL2653857

SCHEMBL2653857

CCCS(=O)(=O)c1ccc(C2(CO)CC2)c(C2CCCCC2)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 2/20 0.37
▸ PTGS2 P35354 2/20 0.36
▸ CNR2 P34972 5/20 0.35
▸ HRH4 Q9H3N8 1/20 0.33
▸ RORC P51449 2/20 0.33
▸ POLB P06746 1/20 0.32
▸ PTGS1 P23219 1/20 0.31
▸ CTDSP1 Q9GZU7 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
SCHEMBL2652996 0.85 PTGS2 (0.47) PNMTPTGS2HRH4PTGS1
SCHEMBL2652954 0.84 PTGS2 (0.45) PNMTPTGS2HRH4PTGS1
SCHEMBL2652919 0.83 CNR2 (0.36) PNMTCNR2RORCPOLB
SCHEMBL2653085 0.76 NAMPT (0.39) —
SCHEMBL2655331 0.73 HSP90AA1 (0.59) PNMTPOLB
SCHEMBL2653810 0.73 PTGDR2 (0.46) —
SCHEMBL2653394 0.73 PTGDR2 (0.50) —
SCHEMBL2653267 0.71 CA2 (0.38) CNR2POLBCTDSP1
SCHEMBL2652981 0.67 KMT2A (0.41) PNMTPTGS2RORCPTGS1
SCHEMBL2653280 0.66 PTGS2 (0.44) PTGS2CNR2HRH4

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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