SCHEMBL2653034

SCHEMBL2653034

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
PPARA Q07869 3/20 0.40
PPARG P37231 2/20 0.40
PPARD Q03181 2/20 0.40
RHOC P08134 1/20 0.39
RHOA P61586 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
SPHK2 Q9NRA0 1/20 0.38

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
SCHEMBL2653431 0.96 HPGD (0.47) HPGDMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2654294 0.95 MEN1 (0.41) HPGDMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2653246 0.90 FFAR4 (0.43) MEN1KMT2APPARAPPARGPPARD
SCHEMBL2653931 0.89 HPGD (0.39) HPGDMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2652510 0.87 FFAR4 (0.42) MEN1KMT2AALDH1A1PPARAPPARG
SCHEMBL2655151 0.87 PPARA (0.39) HPGDMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2653567 0.87 PPARD (0.41) HPGDMEN1KMT2AMAPTTRPV1
SCHEMBL2653083 0.87 HPGD (0.41) HPGDMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2653599 0.86 FFAR4 (0.41) MEN1KMT2AALDH1A1PPARAPPARG
SCHEMBL2655570 0.86 FFAR4 (0.41) MEN1KMT2AALDH1A1PPARAPPARG

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