SCHEMBL16954463

SCHEMBL16954463

O[CH]c1cc(F)cc(OCC(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ LMNA P02545 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ PAX8 Q06710 2/20 0.37
▸ S1PR2 O95136 1/20 0.37
▸ S1PR4 O95977 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ S1PR3 Q99500 1/20 0.37
▸ S1PR5 Q9H228 1/20 0.37
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP17A1 P05093 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ USP2 O75604 1/20 0.34

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
SCHEMBL16959733 0.83 MAPT (0.46) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL3649453 0.83 ALDH1A1 (0.46) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL16961012 0.79 FGFR1 (0.38) MAPTALDH1A1SMN1; SMN2KDM4EPPARG
SCHEMBL16959384 0.77 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2GAACYP3A4
SCHEMBL16956539 0.77 GPR3 (0.34) MAPTPPARAGPR3
SCHEMBL16952043 0.76 — —
SCHEMBL16953003 0.76 CYP2C19 (0.46) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL16951519 0.75 FFAR4 (0.40) MAPTMEN1KMT2AXBP1NPC1
SCHEMBL16956779 0.75 AHR (0.43) CYP2C9CYP2C19CYP1A2
SCHEMBL16954465 0.74 CYP4F2 (0.51) MAPTALDH1A1MEN1KMT2ALMNA

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-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
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