SCHEMBL2652919

SCHEMBL2652919

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ PNMT P11086 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RORC P51449 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ RXRA P19793 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ CTSD P07339 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ BACE2 Q9Y5Z0 1/20 0.33

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
SCHEMBL2653267 0.86 CA2 (0.38) CNR2RAB9APOLBCYP3A4NPC1
SCHEMBL2653280 0.84 PTGS2 (0.44) CNR2CYP3A4ALDH1A1LMNAKMT2A
SCHEMBL2652827 0.83 PTGS2 (0.42) CNR2CYP3A4ALDH1A1LMNAKMT2A
SCHEMBL2653857 0.83 PNMT (0.37) CNR2POLBPNMTRORC
SCHEMBL2652798 0.81 ALDH1A1 (0.42) POLBCYP3A4ALDH1A1SMN1; SMN2LMNA
SCHEMBL2653840 0.81 STAT3 (0.37) POLBCYP3A4ALDH1A1PTGDR2
SCHEMBL2653490 0.74 CYP3A4 (0.41) CYP3A4KMT2APTGDR2
SCHEMBL2654413 0.74 PTGDR2 (0.51) RAB9APOLBCYP3A4NPC1SMN1; SMN2
SCHEMBL2655512 0.73 PTGDR2 (0.55) RAB9ACYP3A4NPC1KMT2APTGDR2
SCHEMBL2653194 0.72 CYP3A4 (0.39) CYP3A4PTGDR2

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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