SCHEMBL16961413

SCHEMBL16961413

C=[C]c1cc(OCC)cc(OC(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ NQO1 P15559 1/20 0.38
▸ LMNA P02545 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ CACNA2D1 P54289 1/20 0.34
▸ FGFR2 P21802 1/20 0.34
▸ FGFR3 P22607 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ ESR1 P03372 2/20 0.32
▸ AHR P35869 1/20 0.32
▸ CCR6 P51684 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ S1PR1 P21453 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
SCHEMBL16954164 0.86 GPR3 (0.35) MAPT
SCHEMBL16955449 0.86 NQO1 (0.50) NQO1MAPTTSHRTDP1ESR1
SCHEMBL16953423 0.81 TSHR (0.33) L3MBTL1PDE2ATSHRMRGPRX4
SCHEMBL16959256 0.81 L3MBTL1 (0.43) L3MBTL1NQO1LMNAMEN1KMT2A
SCHEMBL16955222 0.81 ALDH1A1 (0.41) L3MBTL1
SCHEMBL16952746 0.80 RXRA (0.44) L3MBTL1NQO1LMNAMEN1KMT2A
SCHEMBL16954496 0.79 ESR1 (0.50) NQO1MAPTTSHRTDP1MAPK1
SCHEMBL21432531 0.79 L3MBTL1 (0.44) L3MBTL1NQO1LMNAMEN1KMT2A
SCHEMBL16959259 0.79 L3MBTL1 (0.44) L3MBTL1NQO1LMNAMEN1KMT2A
SCHEMBL16770632 0.77 L3MBTL1 (0.43) L3MBTL1NQO1LMNAMEN1KMT2A

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
Send feedback