SCHEMBL7107857

SCHEMBL7107857

CC(=O)Oc1cccc(/C=C\COC(=O)N(c2ccccc2)c2ccccc2)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.42
ACHE P22303 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ATM Q13315 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
ESR1 P03372 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
HMGB1 P09429 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
GGT1 P19440 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
BLM P54132 1/20 0.36
NAPRT Q6XQN6 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
SCHEMBL7109797 1.00 TRPM8 (0.42) TRPM8ACHENPSR1TDP1L3MBTL1
SCHEMBL7105744 0.85 PTGIR (0.45) TRPM8TDP1L3MBTL1KDM4EALDH1A1
SCHEMBL7109794 0.85 PTGIR (0.45) TRPM8TDP1L3MBTL1KDM4EALDH1A1
SCHEMBL7107860 0.85 PTGIR (0.45) TRPM8TDP1L3MBTL1KDM4EALDH1A1
SCHEMBL7104175 0.83 MAOB (0.38) TRPM8NPSR1TDP1L3MBTL1ATM
SCHEMBL7104410 0.80 DDB1 (0.40) TRPM8NPSR1KDM4EALDH1A1HSD17B10
SCHEMBL7112435 0.76 MAOB (0.51) NPSR1TDP1L3MBTL1ATMPTGS1
SCHEMBL7105131 0.76 MAOB (0.51) NPSR1TDP1L3MBTL1ATMPTGS1
SCHEMBL7110613 0.74 PPARG (0.44) ACHENPSR1TDP1L3MBTL1ATM
SCHEMBL27517897 0.73 TRPM8 (0.42) TRPM8NPSR1L3MBTL1KDM4EALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1013639-B1 Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit HOFFMANN LA ROCHE (CH) 2003-10-01 EP claimed
EP-1013639-A1 Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit F. HOFFMANN-LA ROCHE AG (CH) 2000-06-28 EP claimed
EP-1013639-B1 Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit HOFFMANN LA ROCHE (CH) 2003-10-01 EP disclosed
EP-1013639-A1 Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit F. HOFFMANN-LA ROCHE AG (CH) 2000-06-28 EP disclosed