SCHEMBL2654449

SCHEMBL2654449

COC(=O)c1ccc(CCC(C)(C)COc2cnc(Cl)c(C)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 2/20 0.40
RAB9A P51151 3/20 0.39
GAA P10253 2/20 0.39
CYP4F2 P78329 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 4/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP2C19 P33261 1/20 0.37
CKS1B P61024 1/20 0.37
SKP2 Q13309 1/20 0.37
HIF1A Q16665 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
SCHEMBL2654945 0.89 RXRA (0.38) CYP4A11RAB9ACYP4F2NPC1SMN1; SMN2
SCHEMBL2655814 0.85 MEN1 (0.42) RAB9AGAANPC1ALDH1A1MAPT
SCHEMBL2655045 0.82 CCR6 (0.44) CYP4A11RAB9AGAACYP4F2NPC1
SCHEMBL2654694 0.76 CYP4A11 (0.47) CYP4A11RAB9AGAACYP4F2NPC1
SCHEMBL2655395 0.76 GCGR (0.41) CYP4A11MAPTLMNASMN1; SMN2TP53
SCHEMBL1765675 0.72 MAPT (0.37) RAB9AGAAALDH1A1MAPTLMNA
SCHEMBL2652782 0.71 CYP4A11 (0.61) CYP4A11GAACYP4F2NPC1ALDH1A1
SCHEMBL336046 0.69 ATM (0.51) GAAALDH1A1MAPTLMNAL3MBTL1
SCHEMBL30331909 0.69 ATM (0.51) GAAALDH1A1MAPTLMNAL3MBTL1
SCHEMBL19002551 0.69 CYP4A11 (0.62) CYP4A11GAACYP4F2NPC1ALDH1A1

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-1758853-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO disclosed