SCHEMBL12635889

SCHEMBL12635889

COc1cc(CN2C(=O)NC(=O)C2=O)cc(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 4/20 0.47
▸ LIPG Q9Y5X9 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ MAPK14 Q16539 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ MMP13 P45452 2/20 0.44
▸ SCN9A Q15858 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ USP2 O75604 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL12634650 0.86 MAPK14 (0.47) LIPGSMN1; SMN2CYP3A4MAPK14MAPT
SCHEMBL12634630 0.83 PPARA (0.59) LIPGPOLBL3MBTL1
SCHEMBL12634647 0.82 PPARD (0.60) CYP3A4MAPK14
SCHEMBL12635633 0.81 LIPG (0.51) LIPGCYP3A4MAPK14MAPTMMP13
SCHEMBL12635638 0.80 LIPG (0.51) LIPGCYP3A4MAPK14MAPTMMP13
SCHEMBL12636180 0.80 LIPG (0.53) LIPGCYP3A4MAPK14MMP13POLB
SCHEMBL12634656 0.80 LIPG (0.52) LIPGCYP3A4MAPK14MAPTMMP13
SCHEMBL12636178 0.79 CYP3A4 (0.53) WDR5LIPGSMN1; SMN2CYP3A4MAPK14
SCHEMBL12634679 0.79 PPARA (0.53) LIPGMMP13
SCHEMBL12635884 0.79 PPARG (0.46) MAPT

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
WO-2011078370-A1 NOVEL PARABANIC ACID DERIVATIVE AND DRUG HAVING THE SAME AS ACTIVE INGREDIENT 杏林製薬株式会社 (JP) 2011-06-30 — — WO disclosed
Send feedback