Sugi Predict

Sugi Predict / Compounds / SCHEMBL6534033

SCHEMBL6534033

SCHEMBL6534033

COC(=O)C(Cc1ccc(OCc2cnn(-c3ccc(CC(C)C)cc3)c2)cc1)/C(C)=N/OCc1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 6/20 0.42
▸ MAOA P21397 3/20 0.42
▸ ALKBH1 Q13686 1/20 0.42
▸ SCN9A Q15858 1/20 0.41
▸ ACACB O00763 1/20 0.40
▸ PPARG P37231 3/20 0.40
▸ PPARA Q07869 3/20 0.40
▸ GRM5 P41594 1/20 0.39
▸ GPR34 Q9UPC5 1/20 0.37
▸ ADRB2 P07550 1/20 0.37

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
SCHEMBL6534036 1.00 MAOB (0.42) MAOBMAOAALKBH1SCN9AACACB
SCHEMBL6532384 0.92 PPARG (0.43) MAOBALKBH1ACACBPPARGPPARA
SCHEMBL6532682 0.91 LTA4H (0.43) ACACBPPARGPPARA
SCHEMBL6532687 0.91 LTA4H (0.43) ACACBPPARGPPARA
SCHEMBL6532248 0.89 MME (0.41) MAOBALKBH1PPARGPPARA
SCHEMBL6532241 0.89 MME (0.41) MAOBALKBH1PPARGPPARA
SCHEMBL6533259 0.87 PTGS2 (0.41) MAOBMAOAALKBH1PPARGPPARA
SCHEMBL6533254 0.87 PTGS2 (0.41) MAOBMAOAALKBH1PPARGPPARA
SCHEMBL6532337 0.86 PTGS2 (0.41) ALKBH1ACACBPPARGPPARA
SCHEMBL6532332 0.86 PTGS2 (0.41) ALKBH1ACACBPPARGPPARA

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-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 — — WO disclosed