SCHEMBL6504228

SCHEMBL6504228

COc1ccccc1CCOc1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
PDE2A O00408 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CACNA1G O43497 1/20 0.44
KCNH2 Q12809 1/20 0.44
BCHE P06276 1/20 0.43
CACNA1B Q00975 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
REN P00797 1/20 0.43
ABCB1 P08183 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
AOC3 Q16853 1/20 0.42

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
SCHEMBL15079979 0.86 L3MBTL1 (0.56) TAAR1MAPTHPGDATML3MBTL1
SCHEMBL15079417 0.84 MAPT (0.61) TAAR1MAPTHPGDATML3MBTL1
SCHEMBL9854725 0.82 TAAR1 (0.56) TAAR1MAPTHPGDATML3MBTL1
SCHEMBL6504762 0.78 ALDH1A1 (0.48) MAPTHPGDMEN1KMT2A
SCHEMBL3903691 0.77 TAAR1 (0.50) TAAR1MAPTHPGDATML3MBTL1
SCHEMBL6721565 0.73 TAAR1 (0.46) TAAR1MAPTHPGDATML3MBTL1
SCHEMBL24041823 0.73 BCHE (0.46) TAAR1MAPTHPGDATML3MBTL1
SCHEMBL11347476 0.73 L3MBTL1 (0.46) TAAR1MAPTHPGDATML3MBTL1
SCHEMBL15080025 0.73 L3MBTL1 (0.67) TAAR1MAPTL3MBTL1KCNH2MEN1
SCHEMBL12409059 0.72 NOS1 (0.49) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed