SCHEMBL8083933

SCHEMBL8083933

O=C(Nc1ccc(Cl)c(Cl)c1)OCC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
THRB P10828 1/20 0.51
TAS2R14 Q9NYV8 8/20 0.50
CXCR3 P49682 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.46
PTGES O14684 1/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
SPPL2A Q8TCT8 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46

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
SCHEMBL8074805 0.92 MAPT (0.53) MAPTTHRBTAS2R14CXCR3MEN1
SCHEMBL8073014 0.90 MAPT (0.65) MAPTTHRBTAS2R14CXCR3MEN1
SCHEMBL8070249 0.88 MAPT (0.49) MAPTTHRBTAS2R14CXCR3MEN1
SCHEMBL8059119 0.88 MAPT (0.59) MAPTTAS2R14CXCR3MEN1KMT2A
SCHEMBL8070323 0.87 MAPT (0.52) MAPTTAS2R14CXCR3MEN1KMT2A
SCHEMBL8059346 0.86 MAPT (0.51) MAPTTAS2R14CXCR3MEN1KMT2A
SCHEMBL8073121 0.85 MAPT (0.57) MAPTTAS2R14CXCR3MEN1KMT2A
SCHEMBL8074843 0.85 TAS2R14 (0.55) MAPTTAS2R14CXCR3MEN1KMT2A
SCHEMBL8074725 0.85 MAPT (0.63) MAPTTHRBTAS2R14MEN1KMT2A
SCHEMBL8073250 0.84 TAS2R14 (0.61) MAPTTAS2R14CXCR3MEN1KMT2A

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-0888316-B1 2-(3H)-OXAZOLONE DERIVATIVES AND THEIR USE AS COX-2 INHIBITORS ALMIRALL PRODESFARMA SA (ES) 2000-11-02 EP disclosed