SCHEMBL2654422

SCHEMBL2654422

Cc1cc(OCCCCCc2ccc(C(=O)NCCC(=O)O)s2)cc(C)c1-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 6/20 0.49
ACKR3 P25106 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
PRNP P04156 1/20 0.39
RECQL P46063 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
MCL1 Q07820 2/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
ADCY6 O43306 1/20 0.37
ADCY3 O60266 1/20 0.37
ADCY9 O60503 1/20 0.37
ADCY5 O95622 1/20 0.37
ADCY8 P40145 1/20 0.37

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 0.99 GCGR (0.50) GCGRACKR3ALDH1A1LMNAPRNP
SCHEMBL2654052 0.96 GCGR (0.51) GCGRACKR3ALDH1A1LMNAPRNP
SCHEMBL2652629 0.94 GCGR (0.51) GCGRACKR3POLBNPC1CASP3
SCHEMBL2654307 0.92 HPGD (0.43) GCGRACKR3ALDH1A1POLBNPC1
SCHEMBL2652586 0.92 GCGR (0.45) GCGRALDH1A1LMNAPRNPRECQL
SCHEMBL2652386 0.91 GCGR (0.42) GCGRACKR3POLBNPC1CASP3
SCHEMBL2652620 0.91 GCGR (0.46) GCGRMCL1PPARGPPARDPPARA
SCHEMBL2656127 0.90 GCGR (0.41) GCGRACKR3ALDH1A1LMNAPRNP
SCHEMBL2656490 0.89 GCGR (0.41) GCGRACKR3POLBNPC1CASP3
SCHEMBL2652922 0.89 GCGR (0.46) GCGRMCL1PPARGPPARDPPARA

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