SCHEMBL16959823

SCHEMBL16959823

[CH2]C(CF)c1cc(F)ccc1OC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ HTR2A P28223 3/20 0.38
▸ HTR2C P28335 3/20 0.38
▸ NFE2L2 Q16236 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ADRA2A P08913 2/20 0.36
▸ ADRA1A P35348 2/20 0.36
▸ SLC6A2 P23975 5/20 0.35
▸ SLC6A4 P31645 5/20 0.35
▸ SLC6A3 Q01959 3/20 0.35
▸ HTR2B P41595 2/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL16960641 0.85 L3MBTL1 (0.39) KDM4ESLC6A2SLC6A4CYP2D6ALDH1A1
SCHEMBL16953760 0.85 ADRA2A (0.38) KDM4EHTR2AHTR2CNFE2L2SMN1; SMN2
SCHEMBL16961775 0.83 ADRA1A (0.54) HTR2AADRA2AADRA1ACYP2D6MEN1
SCHEMBL16950337 0.81 KDM4E (0.38) KDM4ESMN1; SMN2USP2ADRA2AADRA1A
SCHEMBL16958455 0.81 MEN1 (0.40) SLC6A2SLC6A4SLC6A3MEN1ALDH1A1
SCHEMBL16957922 0.81 HTR2C (0.42) KDM4EHTR2AHTR2CUSP2HTR2B
SCHEMBL16952708 0.80 NFE2L2 (0.41) KDM4EHTR2AHTR2CNFE2L2ADRA2A
SCHEMBL16957375 0.79 L3MBTL1 (0.37) KDM4EHTR2AHTR2CSMN1; SMN2SLC6A2
SCHEMBL16951751 0.77 NFE2L2 (0.42) KDM4EHTR2AHTR2CNFE2L2SMN1; SMN2
SCHEMBL16960469 0.77 POLB (0.32) PTGS1POLB

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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