SCHEMBL16951223

SCHEMBL16951223

Cc1ccc(OC(F)F)c([CH]O)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ MEN1 O00255 10/20 0.40
▸ KMT2A Q03164 10/20 0.40
▸ MAPT P10636 6/20 0.40
▸ LMNA P02545 4/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HTT P42858 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ ACHE P22303 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PDE4B Q07343 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL16956762 0.84 IDO1 (0.38) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL18145704 0.82 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL16951888 0.82 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL16958137 0.80 MAPT (0.40) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL16957792 0.79 MAPT (0.44) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL16959583 0.79 ALDH1A1 (0.43) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL16954082 0.79 TSHR (0.41) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL16960789 0.77 ACHE (0.56) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL14345864 0.77 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL16952358 0.76 PDE4B (0.39) PDE4B

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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