SCHEMBL2638952

SCHEMBL2638952

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.42
KMO O15229 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
PPARG P37231 6/20 0.42
PPARA Q07869 2/20 0.42
RECQL P46063 1/20 0.42
P2RY1 P47900 1/20 0.42
ADORA2A P29274 1/20 0.41
NR4A2 P43354 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL1661912 0.87 KLKB1 (0.42) MAPTCYP2C9CYP2C19L3MBTL1PPARG
SCHEMBL12521167 0.87 RBP4 (0.36) MAPTMRGPRX4KMOPPARG
SCHEMBL2869819 0.84 IGFBP3 (0.40) MRGPRX4
SCHEMBL2638065 0.80 KLKB1 (0.42) CYP2C9KMOALDH1A1KDM4EPOLB
SCHEMBL2873881 0.80 P2RX3 (0.42) MRGPRX4CYP1A2CYP2C9CYP2C19KMO
SCHEMBL2866332 0.80 MCL1 (0.45) MAPTMRGPRX4CYP1A2CYP2C9CYP2C19
SCHEMBL2878994 0.80 PTGS1 (0.40) MAPTALDH1A1PPARG
SCHEMBL12521376 0.80 SCN9A (0.41) MAPTMRGPRX4CYP1A2CYP2C9CYP2C19
SCHEMBL1660857 0.78 PPARG (0.33) MAPTNPSR1PPARG
SCHEMBL2880398 0.78 MCL1 (0.46) ALDH1A1KDM4E

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