SCHEMBL9846402

SCHEMBL9846402

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.36
BRAF P15056 1/20 0.36
KDR P35968 1/20 0.36
ACACB O00763 2/20 0.34
TACR1 P25103 6/20 0.33
IKBKB O14920 1/20 0.33
IKBKE Q14164 1/20 0.33
CETP P11597 1/20 0.32

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
SCHEMBL9846416 0.86 GRM2 (0.41) GRM2BRAFKDRTACR1
SCHEMBL9846417 0.80 MAOA (0.43) GRM2BRAFKDRTACR1
SCHEMBL9805017 0.74 MAOA (0.43) GRM2BRAFKDR
SCHEMBL10445910 0.73 ACACB (0.36) ACACBTACR1CETP
SCHEMBL9846421 0.71 MAOA (0.54) GRM2
SCHEMBL11748158 0.68 CA1 (0.58)
SCHEMBL20040944 0.68 BRAF (0.40) GRM2BRAFKDR
SCHEMBL15542604 0.68 NR2E1 (0.41) GRM2BRAFKDR
SCHEMBL15541319 0.67 BRAF (0.40) GRM2BRAFKDR
SCHEMBL27461345 0.66 FADS1 (0.43) GRM2

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