SCHEMBL2653460

SCHEMBL2653460

COC(=O)CCNC(=O)c1ccc(CCCCCSc2cc(C)c(-c3ccc(C(F)(F)F)cc3)c(C)c2)s1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
MAPT P10636 3/20 0.37
TRPV1 Q8NER1 1/20 0.35
MCL1 Q07820 1/20 0.35
EPHX2 P34913 1/20 0.35
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
PPARD Q03181 4/20 0.34
PPARA Q07869 3/20 0.34
PPARG P37231 2/20 0.34
GCGR P47871 1/20 0.34
FAAH O00519 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
P2RY14 Q15391 1/20 0.33
POLQ O75417 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL2653024 0.99 HPGD (0.40) HPGDMAPTTRPV1MCL1EPHX2
SCHEMBL2653617 0.97 HPGD (0.38) HPGDMAPTTRPV1MCL1EPHX2
SCHEMBL2662579 0.92 MCL1 (0.42) MAPTMCL1MAPK11MAPK14PPARD
SCHEMBL2653235 0.91 MCL1 (0.43) MAPTMCL1MAPK11MAPK14PPARD
SCHEMBL2652772 0.89 HPGD (0.42) HPGDMAPTTRPV1MCL1EPHX2
SCHEMBL2653083 0.88 HPGD (0.41) HPGDMAPTTRPV1MCL1EPHX2
SCHEMBL2653931 0.87 HPGD (0.39) HPGDMAPTTRPV1MCL1EPHX2
SCHEMBL2653185 0.86 MAPT (0.36) HPGDMAPTMCL1EPHX2MAPK11
SCHEMBL2655592 0.86 GCGR (0.39) HPGDMAPTMCL1EPHX2GCGR
SCHEMBL2653834 0.86 PPARD (0.36) HPGDMAPTMCL1EPHX2PPARD

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