SCHEMBL257890

SCHEMBL257890

CCCOc1ccc(Oc2ccc(C)cc2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.44
ALDH1A1 P00352 3/20 0.43
POLB P06746 3/20 0.43
MAPT P10636 3/20 0.43
GPR55 Q9Y2T6 1/20 0.43
FFAR1 O14842 4/20 0.40
PPARD Q03181 3/20 0.39
PPARG P37231 3/20 0.39
PPARA Q07869 2/20 0.39
P2RX3 P56373 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL257855 0.94 LTA4H (0.45) LTA4HALDH1A1MAPTFFAR1PPARD
SCHEMBL14293809 0.83 MAPT (0.50) ALDH1A1POLBMAPTGPR55MEN1
SCHEMBL257874 0.82 LTA4H (0.43) LTA4HALDH1A1POLBMAPTFFAR1
SCHEMBL10979559 0.81 ALDH1A1 (0.42) ALDH1A1POLBMAPTGPR55FFAR1
SCHEMBL15295257 0.80 MTNR1A (0.47) ALDH1A1POLBMAPTFFAR1PPARD
SCHEMBL8361632 0.78 MAPT (0.47) ALDH1A1POLBMAPTGPR55MEN1
SCHEMBL12030926 0.78 FAAH (0.44) LTA4HPPARDPPARGPPARA
SCHEMBL177285 0.78 MAPT (0.40) LTA4HALDH1A1POLBMAPTFFAR1
SCHEMBL12997517 0.77 LTA4H (0.68) LTA4HALDH1A1POLBMAPTMEN1
SCHEMBL257877 0.77 LTA4H (0.43) LTA4HPPARDPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2399585-A1 Boronic acids and esters as inhibitors of fatty acid amide hydrolase Infinity Pharmaceuticals, Inc. (US) 2011-12-28 EP disclosed
EP-2073816-B1 BORONIC ACIDS AND ESTERS AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS INC (US) 2011-09-14 EP disclosed
WO-2008063300-A2 BORONIC ACIDS AND ESTERS AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2008-05-29 WO disclosed