SCHEMBL16953498

SCHEMBL16953498

[CH2]C(CO)c1cc(Br)ccc1OC(F)F

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ PTGDR2 Q9Y5Y4 2/20 0.32
▸ PTGER1 P34995 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ USP28 Q96RU2 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL16957962 0.84 SMN1; SMN2 (0.39) HPGDTSHRALDH1A1L3MBTL1PTGDR2
SCHEMBL16961608 0.83 HTT (0.33) ALDH1A1SLC6A4PDE4APDE4BPDE4C
SCHEMBL16958907 0.81 KMT2A (0.40) HPGDTSHRALDH1A1L3MBTL1PDE4A
SCHEMBL16960018 0.81 KDM4E (0.39) TSHRALDH1A1L3MBTL1TDP1LMNA
SCHEMBL16960512 0.80 USP28 (0.35) SLC6A4PTGDR2USP28
SCHEMBL16961643 0.79 HPGD (0.48) HPGDTSHRALDH1A1L3MBTL1PTGDR2
SCHEMBL16954586 0.79 ALDH1A1 (0.34) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL16951800 0.79 HTT (0.35) HPGDTSHRALDH1A1L3MBTL1MAPK1
SCHEMBL15271315 0.78 ALDH1A1 (0.39) HPGDTSHRALDH1A1L3MBTL1MAPK1
SCHEMBL16953333 0.78 ALDH1A1 (0.34) HPGDTSHRALDH1A1L3MBTL1MAPK1

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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