SCHEMBL2638909

SCHEMBL2638909

CC(C)c1ccccc1Oc1nc(C(=O)O)co1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.40
P2RX2 Q9UBL9 1/20 0.40
KLKB1 P03952 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
P2RY1 P47900 3/20 0.35
DHODH Q02127 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CES1 P23141 1/20 0.34
CES2 O00748 1/20 0.34
IDO1 P14902 1/20 0.34
ALOX15 P16050 1/20 0.34
P2RY2 P41231 1/20 0.33
P2RY14 Q15391 1/20 0.33
PTPN1 P18031 1/20 0.33
LPAR1 Q92633 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
SCHEMBL2868369 0.76 KDM4E (0.40) P2RX3KLKB1MEN1KMT2ACES1
SCHEMBL1660892 0.75 BCHE (0.42)
SCHEMBL12563253 0.75 PDE2A (0.42) P2RY1
SCHEMBL2871922 0.75 P2RX3 (0.45) P2RX3KLKB1MEN1KMT2APTPN1
SCHEMBL12604090 0.74 PDE2A (0.39) KLKB1P2RY1
SCHEMBL1660381 0.74 NLRP3 (0.34) P2RX3KLKB1
SCHEMBL1660196 0.74 PTGS1 (0.45) P2RX3KLKB1MEN1KMT2A
SCHEMBL2880398 0.72 MCL1 (0.46) KLKB1MEN1KMT2AALOX15
SCHEMBL2862659 0.72 KDM4E (0.50) L3MBTL1MEN1KMT2AALOX15
SCHEMBL1661130 0.70 RXRA (0.45) IDO1

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 5 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 claimed
JP-2011526625-A 2011-10-13 JP claimed
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 claimed
EP-2307394-B1 SULPHONAMIDES AS VANILLOID RECEPTOR ANTAGONIST AMOREPACIFIC CORP (KR) 2012-09-26 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