SCHEMBL9846416

SCHEMBL9846416

O=C(O)OC1CN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)O1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.41
FFAR4 Q5NUL3 2/20 0.34
BRAF P15056 1/20 0.34
KDR P35968 1/20 0.34
NOTUM Q6P988 2/20 0.34
MAOA P21397 1/20 0.34
TACR1 P25103 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
CES2 O00748 1/20 0.33
FADS1 O60427 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ADRB1 P08588 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL9846402 0.86 GRM2 (0.36) GRM2BRAFKDRTACR1
SCHEMBL9805017 0.80 MAOA (0.43) GRM2FFAR4BRAFKDRNOTUM
SCHEMBL9846424 0.77 GRM2 (0.50) GRM2FADS1
SCHEMBL9846417 0.75 MAOA (0.43) GRM2BRAFKDRMAOATACR1
SCHEMBL10446144 0.75 RECQL (0.39) FFAR4NOTUMTACR1MEN1KMT2A
SCHEMBL9846421 0.74 MAOA (0.54) GRM2MAOAADRB1
SCHEMBL10445947 0.71 FFAR4 (0.34) FFAR4NOTUMTACR1CES2ADRB1
SCHEMBL7461984 0.71 GRM2 (0.41) GRM2
SCHEMBL7466428 0.70 ITGB3 (0.46) GRM2
SCHEMBL7462745 0.68 ITGB3 (0.39) GRM2MAOAFADS1

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-0417044-A2 Oxazolidinones and thiones as plantgrowth regulators CIBA-GEIGY AG (CH) 1991-03-13 EP claimed
EP-0417044-A2 Oxazolidinones and thiones as plantgrowth regulators CIBA-GEIGY AG (CH) 1991-03-13 EP disclosed