SCHEMBL2654772

SCHEMBL2654772

Cc1cc(OCC(C)CCc2ccc(C(=O)NCCC(=O)O)s2)cc(C)c1-c1ccsc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
FFAR1 O14842 4/20 0.36
MCL1 Q07820 3/20 0.35
KMT2A Q03164 1/20 0.34
FOLR1 P15328 1/20 0.33
CHEK1 O14757 1/20 0.33
CHEK2 O96017 1/20 0.33
KIT P10721 1/20 0.32
FLT1 P17948 1/20 0.32
KDR P35968 1/20 0.32
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
PRSS1 P07477 1/20 0.31
TMPRSS15 P98073 1/20 0.31
GCG P01275 1/20 0.31

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
SCHEMBL2653999 0.91 FFAR1 (0.41) GCGRPPARGPPARAFFAR1MCL1
SCHEMBL2654239 0.90 GCGR (0.41) GCGRFFAR1MCL1KMT2AFOLR1
SCHEMBL2653953 0.88 GCGR (0.43) GCGRFFAR1MCL1KMT2AGCG
SCHEMBL2655038 0.87 GCGR (0.39) GCGRPPARGPPARDPPARAFFAR1
SCHEMBL2652676 0.87 GCGR (0.51) GCGRFFAR1MCL1KMT2A
SCHEMBL2654440 0.86 GCGR (0.47) GCGRPPARGPPARDPPARAMCL1
SCHEMBL2654214 0.86 GCGR (0.38) GCGRFFAR1MCL1KMT2A
SCHEMBL2653842 0.86 ALDH1A1 (0.38) FFAR1MCL1KMT2AFOLR1PRSS1
SCHEMBL2652978 0.85 ALDH1A1 (0.41) GCGRFFAR1MCL1KMT2AFOLR1
SCHEMBL2654266 0.85 GCGR (0.43) GCGRPPARD

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 claimed
WO-2006086488-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-08-17 WO claimed