SCHEMBL2656087

SCHEMBL2656087

Cc1cc(SCC(C)(C)Cc2ccc(C(=O)O)s2)cc(C)c1-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 9/20 0.39
GRIA2 P42262 4/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
PTGDR Q13258 1/20 0.36
MAPT P10636 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34
KDM4E B2RXH2 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL2655475 0.92 PPARD (0.39) PPARDPPARAALDH1A1
SCHEMBL2658618 0.90 GRIA4 (0.37) GRIA4GRIA2PTGER3PTGER2PTGDR
SCHEMBL2653982 0.86 GCGR (0.44) KDM4E
SCHEMBL2655577 0.83 GRIA4 (0.39) GRIA4GRIA2PTGER3PTGER2PTGDR
SCHEMBL2655551 0.82 GRIA4 (0.39) GRIA4GRIA2PTGER3PTGER2PTGDR
SCHEMBL2655773 0.82 PPARD (0.38) PPARDPPARA
SCHEMBL2656441 0.82 GRIA4 (0.38) GRIA4GRIA2PTGER3PTGER2PTGDR
SCHEMBL2656159 0.82 GRIA4 (0.37) GRIA4GRIA2PTGER3PTGER2PTGDR
SCHEMBL2655641 0.80 GRIA4 (0.36) GRIA4GRIA2PTGER3PTGER2PTGDR
SCHEMBL2661637 0.79 MCL1 (0.43) PPARDPPARAALDH1A1

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-1957484-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES Eli Lilly & Company (US) 2008-08-20 EP claimed
WO-2007120284-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-10-25 WO claimed
EP-1957484-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES Eli Lilly & Company (US) 2008-08-20 EP disclosed
WO-2007120284-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-10-25 WO disclosed