SCHEMBL2365528

SCHEMBL2365528

CN(C)c1cccc(OCCC2CCN(C(=O)O)C(Cc3cncs3)C2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.36
EPHX2 P34913 1/20 0.35
TEAD1 P28347 1/20 0.34
TEAD3 Q99594 1/20 0.34
NR1D1 P20393 1/20 0.34
AXL P30530 1/20 0.33
MERTK Q12866 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
ACHE P22303 1/20 0.33
ROCK1 Q13464 1/20 0.32
PRMT5 O14744 1/20 0.32
HTR1A P08908 1/20 0.32
ACACB O00763 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
F10 P00742 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL2365562 0.84 FFAR1 (0.37) FFAR1EPHX2TEAD1TEAD3NR1D1
SCHEMBL2365509 0.83 MAPT (0.43) ALDH1A1TSHR
SCHEMBL2365397 0.81 TEAD1 (0.32) TEAD1TEAD3PPARGPPARDPPARA
SCHEMBL2365327 0.81 KDM4E (0.40) FFAR1EPHX2TEAD1TEAD3ALDH1A1
SCHEMBL2363075 0.81 S1PR5 (0.40) TSHR
SCHEMBL2365374 0.81 TEAD1 (0.35) TEAD1TEAD3ACACBHCRTR1HCRTR2
SCHEMBL2365423 0.80 LTA4H (0.35) TEAD1TEAD3ACACBHCRTR1HCRTR2
SCHEMBL2365536 0.80 LIPE (0.36) FFAR1EPHX2TEAD1TEAD3PPARD
SCHEMBL2365529 0.79 CYP3A4 (0.40) EPHX2TEAD1TEAD3
SCHEMBL2365345 0.78 ALDH1A1 (0.37) ALDH1A1

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
WO-2011089550-A1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI AVENTIS (FR) 2011-07-28 WO claimed
WO-2011089550-A1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI AVENTIS (FR) 2011-07-28 WO disclosed