SCHEMBL16952152

SCHEMBL16952152

[CH2]C(C)c1ccc(F)c(OCC)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
PTGS2 P35354 2/20 0.41
PTGS1 P23219 1/20 0.41
POLB P06746 1/20 0.39
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.37
KDM1A O60341 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL16955266 0.86 KDM1A (0.45) HTTL3MBTL1PTGS2PTGS1ALDH1A1
SCHEMBL10206356 0.86 HTT (0.46) HTTL3MBTL1PTGS2PTGS1POLB
SCHEMBL18713475 0.84 HTT (0.49) HTTL3MBTL1PTGS2PTGS1POLB
SCHEMBL16954780 0.83 HTT (0.42) HTTL3MBTL1PTGS2PTGS1POLB
SCHEMBL16950881 0.83 HTT (0.42) HTTL3MBTL1PTGS2PTGS1POLB
SCHEMBL28408399 0.83 HTT (0.44) HTTL3MBTL1PTGS2PTGS1POLB
SCHEMBL31447482 0.83 HTT (0.44) HTTL3MBTL1PTGS2PTGS1POLB
SCHEMBL20032311 0.82 HTT (0.46) HTTL3MBTL1PTGS2PTGS1POLB
SCHEMBL16955277 0.82 HTT (0.41) HTTL3MBTL1PTGS2PTGS1POLB
SCHEMBL16953024 0.81 ALDH1A1 (0.36) HTTL3MBTL1PTGS2PTGS1POLB

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