SCHEMBL8375485

SCHEMBL8375485

O=C(O)c1noc(C2CC2)c1C(=O)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
DHODH Q02127 1/20 0.52
PTGS2 P35354 1/20 0.50
EPHX2 P34913 4/20 0.48
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
NPC1 O15118 2/20 0.45
TSHR P16473 1/20 0.45
FLT1 P17948 1/20 0.45
KDR P35968 1/20 0.45
TRPV1 Q8NER1 4/20 0.44
GALK1 P51570 1/20 0.44
EPHX1 P07099 1/20 0.44
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FAAH O00519 1/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL9423016 0.87 PTGS2 (0.51) SMN1; SMN2DHODHPTGS2EPHX2MEN1
SCHEMBL8375470 0.85 DHODH (0.49) SMN1; SMN2DHODHEPHX2MEN1KMT2A
SCHEMBL8375473 0.84 PTGS2 (0.65) SMN1; SMN2DHODHPTGS2EPHX2MEN1
SCHEMBL8376535 0.84 CRACR2A (0.40) SMN1; SMN2PTGS2NPC1TSHRKDR
SCHEMBL8375479 0.83 NPC1 (0.45) SMN1; SMN2DHODHNPC1TRPV1RAB9A
SCHEMBL9429300 0.79 SMN1; SMN2 (0.52) SMN1; SMN2PTGS2EPHX2FLT1KDR
SCHEMBL8376590 0.78 FLT1 (0.48) SMN1; SMN2NPC1TSHRFLT1KDR
SCHEMBL9423117 0.76 HTT (0.52) SMN1; SMN2PTGS2NPC1FLT1KDR
SCHEMBL9429179 0.75 PTGS2 (0.65) SMN1; SMN2DHODHPTGS2EPHX2MEN1
SCHEMBL9423064 0.75 MAPT (0.58) SMN1; SMN2DHODHNPC1FLT1KDR

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-0573318-B1 4-Phenylcarbamoyl-3-isoxazolecarboxylic acid derivatives with antiinflammatory activity HOECHST MARION ROUSSEL INC (FR) 1999-03-24 EP disclosed
EP-0573318-A1 Phenyl carboxamide isoxazole derivatives and salts, process for their preparation and the new intermediates thereof. Their use as pharmaceuticals and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1993-12-08 EP disclosed