SCHEMBL9903690

SCHEMBL9903690

CC(=O)Oc1ccc(OC/C=C(/c2ccc(Cl)cc2)c2ccc(C#Cc3ccc(C)cc3)cc2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.45
MAPT P10636 4/20 0.42
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARG P37231 2/20 0.42
PPARA Q07869 1/20 0.42
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
KCNH2 Q12809 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
POLB P06746 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL1746437 0.88 PPARD (0.57) PPARDMAPTPPARGPPARAKDM4E
SCHEMBL1746440 0.88 PPARD (0.57) PPARDMAPTPPARGPPARAKDM4E
SCHEMBL1746442 0.88 PPARD (0.57) PPARDMAPTPPARGPPARAKDM4E
SCHEMBL1745153 0.85 TSHR (0.49) PPARDMAPTNPC1SMN1; SMN2RAB9A
SCHEMBL1745152 0.85 TSHR (0.49) PPARDMAPTNPC1SMN1; SMN2RAB9A
SCHEMBL1745154 0.85 TSHR (0.49) PPARDMAPTNPC1SMN1; SMN2RAB9A
SCHEMBL22829501 0.83 KDM4E (0.45) PPARDNPC1RAB9APPARGPPARA
SCHEMBL16553795 0.81 PPARD (0.45) PPARDNPC1SMN1; SMN2RAB9AMEN1
SCHEMBL9920812 0.79 PPARD (0.62) PPARDMAPTPPARGPPARAKDM4E
SCHEMBL1744321 0.78 PPARD (0.55) PPARDPPARGPPARAPTGDR2

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-1979311-B1 PHENOXY ACETIC ACIDS AS PPAR DELTA ACTIVATORS HIGH POINT PHARMACEUTICALS LLC (US) 2012-06-13 EP claimed