SCHEMBL2653138

SCHEMBL2653138

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.47
PPARA Q07869 7/20 0.44
PPARD Q03181 7/20 0.44
FFAR4 Q5NUL3 1/20 0.42
KIF11 P52732 1/20 0.42
HDAC1 Q13547 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
PTPN1 P18031 1/20 0.41
PPARG P37231 3/20 0.41
NR4A2 P43354 1/20 0.41
MRGPRX4 Q96LA9 1/20 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
SCHEMBL2653920 0.85 HDAC3 (0.46) MCL1PPARAPPARDHDAC1HDAC3
SCHEMBL2653246 0.84 FFAR4 (0.43) MCL1PPARAPPARDFFAR4PPARG
SCHEMBL2652510 0.81 FFAR4 (0.42) PPARAPPARDFFAR4HDAC1HDAC2
SCHEMBL2654133 0.81 PPARD (0.43) PPARAPPARDPPARGFFAR1
SCHEMBL2653887 0.80 PPARA (0.42) MCL1PPARAPPARDFFAR4PPARG
SCHEMBL2653599 0.80 FFAR4 (0.41) PPARAPPARDFFAR4HDAC1HDAC2
SCHEMBL2653034 0.80 HPGD (0.43) MCL1PPARAPPARDHDAC1HDAC6
SCHEMBL2655570 0.80 FFAR4 (0.41) PPARAPPARDFFAR4HDAC1HDAC2
SCHEMBL2654294 0.77 MEN1 (0.41) PPARAPPARDHDAC1HDAC3HDAC4
SCHEMBL2653431 0.77 HPGD (0.47) PPARAPPARDHDAC1HDAC2HDAC3

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