SCHEMBL23967852

SCHEMBL23967852

Cc1ccc(Cc2cc3cc(-c4ccc(CCCO)cc4)c(Cl)cc3[nH]2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 10/20 0.45
PRKAA2 P54646 10/20 0.45
PRKAB1 Q9Y478 10/20 0.45
PRKAB2 O43741 7/20 0.45
PRKAA1 Q13131 7/20 0.45
PRKAG3 Q9UGI9 7/20 0.45
PRKAG2 Q9UGJ0 7/20 0.45
RHEB Q15382 2/20 0.38
KDM4A O75164 1/20 0.34
KDM5A P29375 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
CHEK2 O96017 1/20 0.34
FFAR1 O14842 3/20 0.33
F2 P00734 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
P2RY12 Q9H244 1/20 0.32
TFDP2 Q14188 1/20 0.31
PPARG P37231 1/20 0.31

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
SCHEMBL16069468 0.88 PRKAG1 (0.55) PRKAG1PRKAA2PRKAB1PRKAB2PRKAA1
SCHEMBL17402604 0.83 HAVCR2 (0.39) PRKAG1PRKAA2PRKAB1PRKAB2PRKAA1
SCHEMBL17402637 0.81 PRKAB2 (0.45) PRKAG1PRKAA2PRKAB1PRKAB2PRKAA1
SCHEMBL17402602 0.81 PTGS2 (0.41)
SCHEMBL17402603 0.80 PRKAG1 (0.40) PRKAG1PRKAA2PRKAB1PRKAB2PRKAA1
SCHEMBL23967636 0.79 KDM4A (0.40) PRKAG1PRKAA2PRKAB1PRKAB2PRKAA1
SCHEMBL16069464 0.76 PRKAG1 (0.54) PRKAG1PRKAA2PRKAB1PRKAB2PRKAA1
SCHEMBL16069459 0.74 PRKAG1 (0.47) PRKAG1PRKAA2PRKAB1PRKAB2PRKAA1
SCHEMBL23967846 0.73 FFAR1 (0.45) FFAR1PPARG
SCHEMBL16069469 0.73 PRKAG1 (0.42) PRKAG1PRKAA2PRKAB1PRKAB2PRKAA1

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
EP-2970119-B1 NOVEL INDOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME (US) 2021-11-03 EP disclosed