SCHEMBL14445949

SCHEMBL14445949

COc1ccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2CO)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCGR P47871 11/20 0.51
MAPT P10636 2/20 0.48
ASIC1 P78348 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.45
HDAC1 Q13547 1/20 0.44
GIPR P48546 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL14290243 0.90 GCGR (0.49) GCGRMAPTASIC1SMN1; SMN2HDAC1
SCHEMBL4683641 0.89 NPBWR1 (0.47) MAPTASIC1SMN1; SMN2HDAC1
SCHEMBL4682127 0.88 GCGR (0.53) GCGRMAPTSMN1; SMN2HDAC1GIPR
SCHEMBL13425461 0.86 MEN1 (0.53) MAPTSMN1; SMN2LMNAHDAC1
SCHEMBL23297371 0.81 MAPT (0.67) GCGRMAPTSMN1; SMN2HDAC1
SCHEMBL14445954 0.81 GCGR (0.42) GCGRMAPT
SCHEMBL2425237 0.81 GCGR (0.43) GCGRMAPTHDAC1GIPRCYP3A4
SCHEMBL508428 0.80 MAPT (0.45) GCGRMAPT
SCHEMBL14290130 0.79 GCGR (0.50) GCGRMAPTSMN1; SMN2HDAC1
SCHEMBL22613652 0.78 MAPT (0.44) MAPTSMN1; SMN2LMNAHDAC1

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
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed