SCHEMBL2653920

SCHEMBL2653920

CCOC(=O)c1ccc(CCCOc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CRHBP P24387 1/20 0.46
KMT2A Q03164 1/20 0.46
CRHR2 Q13324 1/20 0.46
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
MCL1 Q07820 2/20 0.41
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
PTPN1 P18031 1/20 0.40
PPARA Q07869 4/20 0.40
PPARD Q03181 3/20 0.40
PPARG P37231 3/20 0.40

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
SCHEMBL2653138 0.85 MCL1 (0.47) HDAC3HDAC4HDAC1HDAC6MCL1
SCHEMBL2654336 0.83 MAPT (0.45) HDAC3HDAC4HDAC1HDAC6MAPT
SCHEMBL2654045 0.79 MAPT (0.43) HDAC3HDAC4HDAC1HDAC6MAPT
SCHEMBL2653034 0.78 HPGD (0.43) HDAC1HDAC6MAPTKDM4EMEN1
SCHEMBL2653246 0.77 FFAR4 (0.43) MEN1KMT2AMCL1PPARAPPARD
SCHEMBL2666531 0.77 MEN1 (0.47) HDAC3HDAC4HDAC1HDAC6MAPT
SCHEMBL2652510 0.74 FFAR4 (0.42) HDAC3HDAC4HDAC1HDAC6MEN1
SCHEMBL2653431 0.74 HPGD (0.47) HDAC3HDAC4HDAC1HDAC6MAPT
SCHEMBL3333478 0.74 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC6MAPT
SCHEMBL2653917 0.74 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC6MAPT

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
EP-1856090-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-11-21 EP disclosed
WO-2006086488-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-08-17 WO disclosed