SCHEMBL2654739

SCHEMBL2654739

O=C(O)c1cc(Cl)c(CCCO)s1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAO P14920 5/20 0.52
GPR35 Q9HC97 4/20 0.36
GSK3B P49841 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
NOTUM Q6P988 5/20 0.33
TSHR P16473 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
BCL2L1 Q07817 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
SCHEMBL2653080 0.84 CYP4A11 (0.43) DAOALDH1A1KDM4EKMT2ATSHR
SCHEMBL23013214 0.82 DAO (0.59) DAOGPR35GSK3BALDH1A1KDM4E
SCHEMBL25547089 0.81 DAO (0.53) DAOGPR35GSK3BALDH1A1KDM4E
SCHEMBL8805459 0.79 DAO (0.52) DAOGPR35ALDH1A1KDM4EMEN1
SCHEMBL22607908 0.73 MRGPRX4 (0.40) DAOGSK3BALDH1A1KDM4EMAPT
SCHEMBL23013236 0.71 DAO (0.50) DAOALDH1A1MEN1MAPTKMT2A
SCHEMBL22607817 0.69 DAO (0.41) DAOALDH1A1KDM4EMEN1MAPT
SCHEMBL788050 0.69 DAO (1.00) DAOGPR35GSK3BALDH1A1KDM4E
Hydrochloric Acid SCHEMBL8935127 0.67 DAO (0.95) DAOGPR35GSK3BALDH1A1KDM4E
SCHEMBL18701713 0.67 DAO (0.65) DAOGPR35GSK3BALDH1A1KDM4E

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 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