SCHEMBL8069684

SCHEMBL8069684

COc1ccc(NC(=O)OCC(=O)c2ccc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 12/20 0.65
CXCR3 P49682 3/20 0.65
PTGES O14684 1/20 0.65
TAS2R8 Q9NYW2 1/20 0.65
MAPT P10636 3/20 0.59
LMNA P02545 1/20 0.59
TP53 P04637 1/20 0.55
CNR1 P21554 1/20 0.55
CNR2 P34972 1/20 0.55
BMP1 P13497 1/20 0.54

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 0.91 MAPT (0.59) TAS2R14CXCR3PTGESTAS2R8MAPT
SCHEMBL8074725 0.90 MAPT (0.63) TAS2R14MAPTLMNATP53CNR1
SCHEMBL8069963 0.89 TAS2R14 (0.64) TAS2R14CXCR3PTGESTAS2R8MAPT
SCHEMBL8073121 0.88 MAPT (0.57) TAS2R14CXCR3PTGESTAS2R8MAPT
SCHEMBL8059182 0.88 TAS2R14 (0.54) TAS2R14CXCR3PTGESTAS2R8MAPT
SCHEMBL8070323 0.86 MAPT (0.52) TAS2R14CXCR3PTGESTAS2R8MAPT
SCHEMBL8064181 0.85 MAPT (0.54) TAS2R14CXCR3PTGESMAPTCNR2
SCHEMBL8073014 0.85 MAPT (0.65) TAS2R14CXCR3PTGESTAS2R8MAPT
SCHEMBL8074729 0.85 TAS2R14 (0.56) TAS2R14CXCR3PTGESTAS2R8MAPT
SCHEMBL8073250 0.83 TAS2R14 (0.61) TAS2R14CXCR3PTGESTAS2R8MAPT

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