SCHEMBL2653035

SCHEMBL2653035

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.38
SPHK2 Q9NRA0 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
PPARD Q03181 4/20 0.35
PPARG P37231 3/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
P2RY14 Q15391 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMPD1 P17405 1/20 0.35
CD274 Q9NZQ7 1/20 0.34
HIF1A Q16665 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
SCHEMBL2654631 0.92 KMT2A (0.41) PPARAPPARDPPARG
SCHEMBL2655151 0.91 PPARA (0.39) PPARASPHK2SMN1; SMN2NPC1RAB9A
SCHEMBL2653895 0.90 GCGR (0.38) PPARAPPARDPPARG
SCHEMBL2654294 0.86 MEN1 (0.41) PPARASPHK2SMN1; SMN2NPC1RAB9A
SCHEMBL2653034 0.85 HPGD (0.43) PPARASPHK2SMN1; SMN2NPC1RAB9A
SCHEMBL2653431 0.83 HPGD (0.47) PPARASPHK2SMN1; SMN2NPC1RAB9A
SCHEMBL2653785 0.83 PPARA (0.41) PPARAPPARDPPARG
SCHEMBL2653251 0.83 GCGR (0.37) PPARASPHK2SMN1; SMN2TRPV1PPARD
SCHEMBL2654434 0.82 GCGR (0.45) PPARAPPARDPPARG
SCHEMBL2655425 0.82 GCGR (0.37) PPARAPPARDPPARGMAPT

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