SCHEMBL8064181

SCHEMBL8064181

O=C(Nc1ccc(C(F)(F)F)cc1)OCC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
PTPN1 P18031 3/20 0.53
TAS2R14 Q9NYV8 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TRPV4 Q9HBA0 1/20 0.47
MTOR P42345 1/20 0.47
CNR2 P34972 1/20 0.47
CXCR3 P49682 2/20 0.47
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
PTGES O14684 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
SCHEMBL8059119 0.90 MAPT (0.59) MAPTTAS2R14MEN1KMT2ACNR2
SCHEMBL8069707 0.87 PTPN1 (0.50) MAPTPTPN1MTORCNR2ALDH1A1
SCHEMBL8074725 0.87 MAPT (0.63) MAPTTAS2R14MEN1KMT2ACNR2
SCHEMBL8073121 0.87 MAPT (0.57) MAPTTAS2R14MEN1KMT2ACNR2
SCHEMBL8069963 0.86 TAS2R14 (0.64) MAPTTAS2R14MEN1KMT2ACNR2
SCHEMBL8069684 0.85 TAS2R14 (0.65) MAPTTAS2R14CNR2CXCR3PTGES
SCHEMBL8059346 0.84 MAPT (0.51) MAPTTAS2R14MEN1KMT2ACXCR3
SCHEMBL8070323 0.83 MAPT (0.52) MAPTTAS2R14MEN1KMT2ACNR2
SCHEMBL8083933 0.82 MAPT (0.51) MAPTTAS2R14MEN1KMT2ACXCR3
SCHEMBL8070251 0.82 MAPT (0.56) MAPTTAS2R14MEN1KMT2APOLB

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-1017685-A1 NEW 2-(3H)-OXAZOLONE DERIVATIVES ALMIRALL-PRODESFARMA, S.A. (ES) 2000-07-12 EP disclosed
WO-1999014205-A1 NEW 2-(3H)-OXAZOLONE DERIVATIVES ALMIRALL PRODESFARMA S.A. (ES) 1999-03-25 WO disclosed