SCHEMBL9846417

SCHEMBL9846417

COC(=O)C1CN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)O1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.43
GRM2 Q14416 4/20 0.38
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
BRAF P15056 1/20 0.37
KDR P35968 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
TACR1 P25103 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33

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
SCHEMBL9805017 0.84 MAOA (0.43) MAOAGRM2BRAFKDRSIRT2
SCHEMBL9846402 0.80 GRM2 (0.36) GRM2BRAFKDRTACR1
SCHEMBL3041240 0.77 MAOA (0.57) MAOAGRM2
SCHEMBL9846416 0.75 GRM2 (0.41) MAOAGRM2BRAFKDRSIRT2
SCHEMBL11748158 0.75 CA1 (0.58) MAPTSMN1; SMN2CA1CA2CA4
SCHEMBL3043511 0.74 MAOA (0.48) MAOA
SCHEMBL3048358 0.74 MAOA (0.59) MAOA
SCHEMBL5999012 0.73 MAOA (0.50) MAOACA1CA2CA4CA6
SCHEMBL3039861 0.73 MAOA (0.58) MAOAGRM2
SCHEMBL9846421 0.73 MAOA (0.54) MAOAGRM2

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 1 patent. 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 disclosed