SCHEMBL16953333

SCHEMBL16953333

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.34
▸ HPGD P15428 3/20 0.34
▸ MAPK1 P28482 3/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ LMNA P02545 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ ALOX12 P18054 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
SCHEMBL16960908 0.83 ALDH1A1 (0.41) ALDH1A1HPGDMAPK1TDP1L3MBTL1
SCHEMBL16962116 0.81 HTT (0.32) LMNAHTTSMN1; SMN2
SCHEMBL16951800 0.81 HTT (0.35) ALDH1A1HPGDMAPK1TDP1L3MBTL1
SCHEMBL15271315 0.80 ALDH1A1 (0.39) ALDH1A1HPGDMAPK1TDP1L3MBTL1
SCHEMBL16954915 0.80 LMNA (0.36) ALDH1A1HPGDL3MBTL1TSHRLMNA
SCHEMBL16955354 0.79 AMY1A (0.38) ALDH1A1TDP1L3MBTL1TSHRLMNA
SCHEMBL16956764 0.79 MAOA (0.35) ALDH1A1HPGDMAPK1TDP1L3MBTL1
SCHEMBL16953498 0.78 HPGD (0.34) ALDH1A1HPGDMAPK1TDP1L3MBTL1
SCHEMBL4311186 0.77 ALDH1A1 (0.40) ALDH1A1HPGDMAPK1TDP1L3MBTL1
SCHEMBL16954198 0.77 HPGD (0.49) ALDH1A1HPGDMAPK1TDP1L3MBTL1

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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