SCHEMBL1661912

SCHEMBL1661912

CC(C)(C)c1cccc(Oc2nc(C(=O)O)co2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
PPARG P37231 7/20 0.38
P2RY1 P47900 1/20 0.37
PPARA Q07869 1/20 0.37
FFAR1 O14842 2/20 0.36
PPARD Q03181 2/20 0.36
POLB P06746 2/20 0.36
NR4A1 P22736 1/20 0.36
NR4A2 P43354 1/20 0.36
NR4A3 Q92570 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL2638952 0.87 MAPT (0.50) CYP2C9CYP2C19MAPTPPARGP2RY1
SCHEMBL4231875 0.84 KDM4E (0.46) KLKB1CYP2C9CYP3A4CYP2C19MAPT
SCHEMBL2871936 0.84 P2RX3 (0.42) KLKB1MAPTRXRARXRBNR4A2
SCHEMBL2880398 0.81 MCL1 (0.46) KLKB1RXRARXRB
SCHEMBL2638065 0.80 KLKB1 (0.42) KLKB1CYP2C9POLBNPC1RAB9A
SCHEMBL2866332 0.80 MCL1 (0.45) KLKB1CYP2C9CYP3A4CYP2C19MAPT
SCHEMBL2873881 0.80 P2RX3 (0.42) KLKB1CYP2C9CYP2C19RXRARXRB
SCHEMBL1660164 0.80 KLKB1 (0.44) KLKB1POLBNPC1L3MBTL1P2RX3
SCHEMBL1660196 0.80 PTGS1 (0.45) KLKB1RXRARXRBPPARGLMNA
SCHEMBL4237483 0.79 NLRP3 (0.39) KLKB1CYP2C9CYP2C19RXRARXRB

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
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
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