SCHEMBL2665299

SCHEMBL2665299

Cc1cc(/C(=C\C2CCCC2)C(=O)Nc2cnc(C3(O)CCOCC3)cn2)ccc1S(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCK P35557 6/20 0.44
HTRA1 Q92743 1/20 0.33
MAPK1 P28482 1/20 0.31
KCNH2 Q12809 2/20 0.31
PDE4B Q07343 1/20 0.31
NPC1 O15118 2/20 0.30
RAB9A P51151 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL9072572 0.91 GCK (0.43) GCKMAPK1KCNH2
SCHEMBL2665295 0.88 GCK (0.57) GCKKCNH2
SCHEMBL9072563 0.81 GCK (0.40) GCKHTRA1KCNH2ALDH1A1
SCHEMBL2665332 0.79 GCK (0.36) GCKKCNH2ALDH1A1
SCHEMBL9072578 0.79 KCNH2 (0.52) GCKKCNH2ALDH1A1
SCHEMBL2665284 0.77 GCK (0.42) GCKMAPK1KCNH2
SCHEMBL2665279 0.74 GCK (0.48) GCKKCNH2
SCHEMBL2665274 0.74 GCK (0.44) GCKMAPK1KCNH2
SCHEMBL2665268 0.74 GCK (0.44) GCKKCNH2
SCHEMBL2665327 0.73 GCK (0.46) GCKKCNH2ALDH1A1

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
US-7132425-B2 5-substituted-six-membered heteroaromatic glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2006-11-07 US disclosed