SCHEMBL2655151

SCHEMBL2655151

COC(=O)CCNC(=O)c1ccc(CCC(C)(C)COc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.39
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
SPHK2 Q9NRA0 1/20 0.36
TP53 P04637 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
PPARG P37231 4/20 0.35
PPARD Q03181 4/20 0.35
P2RY14 Q15391 1/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34

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
SCHEMBL2653785 0.92 PPARA (0.41) PPARAKMT2APPARGPPARD
SCHEMBL2653035 0.91 PPARA (0.38) PPARASMN1; SMN2MAPTKDM4ELMNA
SCHEMBL2655425 0.90 GCGR (0.37) PPARAMAPTPPARGPPARD
SCHEMBL2653427 0.90 GCGR (0.40) PPARAHPGDSMN1; SMN2MAPTKDM4E
SCHEMBL2654294 0.88 MEN1 (0.41) PPARAHPGDSMN1; SMN2MAPTKDM4E
SCHEMBL2653034 0.87 HPGD (0.43) PPARAHPGDSMN1; SMN2MAPTKDM4E
SCHEMBL2653431 0.85 HPGD (0.47) PPARAHPGDSMN1; SMN2MAPTKDM4E
SCHEMBL2654877 0.83 HPGD (0.36) PPARAHPGDSMN1; SMN2MAPTKDM4E
SCHEMBL2655342 0.83 DGAT1 (0.41) PPARAKMT2APPARGPPARDP2RY14
SCHEMBL2654631 0.83 KMT2A (0.41) PPARAKMT2APPARGPPARD

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