SCHEMBL2365569

SCHEMBL2365569

CC(C)(C)c1cc(OCCC2CCN(C(=O)O)C(Cc3nccs3)C2)cc(C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.36
HRH2 P25021 2/20 0.34
HRH1 P35367 2/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TEAD1 P28347 1/20 0.32
TEAD3 Q99594 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
PPARG P37231 2/20 0.32
PPARD Q03181 2/20 0.32
PPARA Q07869 1/20 0.32
HCRTR2 O43614 1/20 0.31
ACKR3 P25106 1/20 0.31
LTA4H P09960 1/20 0.31
RBP4 P02753 1/20 0.30
CHRM5 P08912 1/20 0.30
USP2 O75604 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL2365397 0.83 TEAD1 (0.32) MEN1KMT2ATEAD1TEAD3PPARG
SCHEMBL2365539 0.82 TEAD1 (0.32) MEN1KMT2ATEAD1TEAD3PPARG
SCHEMBL2365494 0.81 ACKR3 (0.45) HRH2HRH1TEAD1TEAD3PPARD
SCHEMBL2363548 0.80 KDM4E (0.43) TEAD1TEAD3LTA4H
SCHEMBL2364770 0.80 GPR119 (0.41) KCNA5HRH2HRH1TEAD1TEAD3
SCHEMBL2365577 0.80 HRH2 (0.37) KCNA5HRH2HRH1MEN1KMT2A
SCHEMBL2231126 0.78 GRIN2B (0.44) KCNA5HRH2HRH1TEAD1TEAD3
SCHEMBL2365541 0.74 GAA (0.39) MEN1KMT2AUSP2
SCHEMBL2363554 0.71 HTR7 (0.36) LTA4H
SCHEMBL2365258 0.69 ACKR3 (0.42) TEAD1TEAD3HRH3PPARDPPARA

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 1 patent. 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 disclosed