SCHEMBL7202820

SCHEMBL7202820

O=C(O)c1cnc(C2OCCO2)s1.O=Cc1ncc(C(=O)O)s1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.37
RXRB P28702 3/20 0.37
RXRG P48443 3/20 0.37
RARB P10826 2/20 0.37
RARG P13631 2/20 0.37
RARA P10276 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
RORC P51449 1/20 0.31
FFAR2 O15552 1/20 0.30

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
SCHEMBL2406553 0.89 HCAR2 (0.46) RXRARXRBRXRGRARBRARG
SCHEMBL2406424 0.81 HCAR2 (0.53) RXRARXRBRXRGRARBRARG
SCHEMBL2897171 0.77 HCAR2 (0.33) HCAR2RORC
SCHEMBL17178097 0.71
SCHEMBL16794314 0.69 SMN1; SMN2 (0.43) HCAR2
SCHEMBL30908520 0.68 HCAR2 (0.43) RXRARXRBRXRGRARBRARG
SCHEMBL16703224 0.68 HCAR2 (0.50) RXRARXRBRXRGRARBRARG
SCHEMBL13341431 0.67 CDC7 (0.36) HCAR2
SCHEMBL28045873 0.66 HCAR2 (0.52) RXRARXRBRXRGRARBRARG
SCHEMBL23146241 0.65 HCAR2 (0.47) RXRARXRBRXRGRARBRARG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003076440-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS CALCITONIN AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-18 WO disclosed