SCHEMBL2654052

SCHEMBL2654052

Cc1cc(OCCCc2ccc(C(=O)NCCC(=O)O)s2)cc(C)c1-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 7/20 0.51
MCL1 Q07820 2/20 0.42
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
KMT2A Q03164 1/20 0.40
ACKR3 P25106 1/20 0.40
ADCY6 O43306 1/20 0.38
ADCY3 O60266 1/20 0.38
ADCY9 O60503 1/20 0.38
ADCY5 O95622 1/20 0.38
ADCY8 P40145 1/20 0.38
ADCY7 P51828 1/20 0.38
ADCY2 Q08462 1/20 0.38
ADCY1 Q08828 1/20 0.38
ADCY4 Q8NFM4 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 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
SCHEMBL2652221 0.97 GCGR (0.50) GCGRMCL1NPC1POLBCASP3
SCHEMBL2654422 0.96 GCGR (0.49) GCGRMCL1NPC1POLBCASP3
SCHEMBL2652629 0.95 GCGR (0.51) GCGRMCL1NPC1POLBCASP3
SCHEMBL2653812 0.92 GCGR (0.42) GCGRMCL1NPC1POLBCASP3
SCHEMBL2652922 0.92 GCGR (0.46) GCGRMCL1PPARGPPARDPPARA
SCHEMBL2653964 0.90 GCGR (0.53) GCGRMCL1NPC1POLBCASP3
SCHEMBL2654407 0.90 GCGR (0.42) GCGRMCL1NPC1POLBCASP3
SCHEMBL2652620 0.90 GCGR (0.46) GCGRMCL1PPARGPPARDPPARA
SCHEMBL2652386 0.90 GCGR (0.42) GCGRMCL1NPC1POLBCASP3
SCHEMBL2654307 0.89 HPGD (0.43) GCGRMCL1NPC1POLBCASP3

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 4 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
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