SCHEMBL1660892

SCHEMBL1660892

Cc1ccc(C(C)C)cc1Oc1nc(C(=O)O)co1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.42
ACHE P22303 5/20 0.42
NLRP3 Q96P20 1/20 0.39
TYR P14679 1/20 0.38

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
SCHEMBL1660381 0.86 NLRP3 (0.34) BCHEACHENLRP3
SCHEMBL2871922 0.80 P2RX3 (0.45)
SCHEMBL4237483 0.80 NLRP3 (0.39) NLRP3
SCHEMBL12563371 0.79 PDE2A (0.42) BCHEACHENLRP3
SCHEMBL1660196 0.79 PTGS1 (0.45)
SCHEMBL12604716 0.78 PDE2A (0.41) BCHEACHENLRP3
SCHEMBL4236233 0.76 GNRHR (0.36) BCHEACHENLRP3
SCHEMBL2638909 0.75 P2RX3 (0.40)
SCHEMBL4242022 0.74 GNRHR (0.37) BCHEACHENLRP3
SCHEMBL13743202 0.74 BCHE (0.41) BCHEACHENLRP3

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-2307394-B1 SULPHONAMIDES AS VANILLOID RECEPTOR ANTAGONIST AMOREPACIFIC CORP (KR) 2012-09-26 EP disclosed
EP-2307394-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2011-04-13 EP disclosed
WO-2010002209-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2010-01-07 WO disclosed