SCHEMBL3973326

SCHEMBL3973326

C[Mg]Br.OCCc1ccc(Cl)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ PNMT P11086 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ GRM2 Q14416 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ IGF1R P08069 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ SIGMAR1 Q99720 2/20 0.33
▸ ANO1 Q5XXA6 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ MEN1 O00255 1/20 0.32

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
SCHEMBL3978582 0.89 MAPT (0.47) MAPTALDH1A1KDM4EALOX5GAA
SCHEMBL1568422 0.79 IGF1R (0.44) MAPTPNMTTAAR1MAPK1CA2
SCHEMBL3971788 0.79 MAPT (0.38) MAPTALDH1A1KDM4EALOX5GAA
SCHEMBL27803608 0.74 PNMT (0.45) MAPTPNMTTAAR1MAPK1GRM2
SCHEMBL17552718 0.74 PNMT (0.45) MAPTALDH1A1PNMTTAAR1MAPK1
SCHEMBL3264645 0.74 MAPT (0.47) MAPTALDH1A1KDM4EALOX5GAA
SCHEMBL530150 0.74 PNMT (0.45) MAPTGAAPNMTTAAR1MAPK1
SCHEMBL14656091 0.74 HTR2A (0.47) MAPTALDH1A1KCNH2PPARGPPARA
SCHEMBL2092848 0.74 MAPT (0.45) MAPTPNMTTAAR1MAPK1GRM2
SCHEMBL31412508 0.74 MAPT (0.45) MAPTPNMTTAAR1MAPK1GRM2

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
EP-2054410-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS Wyeth (US) 2009-05-06 — — EP disclosed
WO-2008021331-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS WYETH (US) 2008-02-21 — — WO disclosed
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