SCHEMBL14290010

SCHEMBL14290010

C=CCn1nc(-c2ccc(OC(F)(F)F)cc2)cc1C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
POLB P06746 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TDP1 Q9NUW8 3/20 0.51
FAAH O00519 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.44
APEX1 P27695 1/20 0.44
RECQL P46063 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
RAB9A P51151 1/20 0.44
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
GCGR P47871 5/20 0.42
ALDH1A1 P00352 1/20 0.41
ELANE P08246 1/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL718990 0.88 FAAH (0.59) MAPTPOLBSMN1; SMN2TDP1FAAH
SCHEMBL2428624 0.86 MAPT (0.56) MAPTPOLBSMN1; SMN2TDP1FAAH
SCHEMBL4693223 0.85 PPARG (0.55) MAPTPOLBSMN1; SMN2TDP1FAAH
SCHEMBL4682703 0.82 MAPT (0.79) MAPTPOLBSMN1; SMN2TDP1L3MBTL1
SCHEMBL4679879 0.82 MAPT (0.53) MAPTPOLBSMN1; SMN2TDP1FAAH
SCHEMBL2423765 0.82 FAAH (0.59) MAPTPOLBSMN1; SMN2TDP1FAAH
SCHEMBL4682118 0.81 MAPT (0.47) MAPTPOLBSMN1; SMN2TDP1FAAH
SCHEMBL2423857 0.79 MAPT (0.48) MAPTPOLBSMN1; SMN2TDP1FAAH
SCHEMBL14215640 0.77 MAPT (0.48) MAPTPOLBSMN1; SMN2TDP1FAAH
Hydrochloric Acid SCHEMBL4717037 0.77 MAPT (0.47) MAPTPOLBSMN1; SMN2TDP1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513796-B1 PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORP (US) 2008-02-13 EP disclosed
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