SCHEMBL1661148

SCHEMBL1661148

O=C(O)c1coc(Oc2cccc(C3CC3)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.39
KLKB1 P03952 1/20 0.39
KMO O15229 1/20 0.39
KCNH2 Q12809 1/20 0.37
HTR2C P28335 2/20 0.35
NOTUM Q6P988 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
PARP14 Q460N5 2/20 0.35
PARP10 Q53GL7 2/20 0.35
ALOX5 P09917 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
PRKCI P41743 1/20 0.34
P2RX3 P56373 1/20 0.34
CHRM3 P20309 1/20 0.33
AKR1C3 P42330 1/20 0.33
DHODH Q02127 1/20 0.33
CETP P11597 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
SCHEMBL2865183 0.95 KMO (0.46) MGLLKLKB1KMOKCNH2HTR2C
SCHEMBL2638262 0.95 KMO (0.43) MGLLKLKB1KMOKCNH2HTR2C
SCHEMBL2638065 0.79 KLKB1 (0.42) KLKB1KMOP2RX3AKR1C3
SCHEMBL2866332 0.79 MCL1 (0.45) KLKB1MRGPRX4AKR1C3
SCHEMBL2873881 0.79 P2RX3 (0.42) KLKB1KMOMRGPRX4P2RX3
SCHEMBL2873902 0.79 HAO1 (0.50) KLKB1P2RX3AKR1C3
SCHEMBL1660451 0.79 HTR2C (0.36) KCNH2HTR2CNOTUMALOX5TAAR1
SCHEMBL2880398 0.77 MCL1 (0.46) KLKB1
SCHEMBL1660164 0.76 KLKB1 (0.44) KLKB1P2RX3
SCHEMBL1661912 0.76 KLKB1 (0.42) KLKB1P2RX3

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 6 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
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 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