SCHEMBL16959832

SCHEMBL16959832

CCCOc1cccc([C](C)C)c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ LMNA P02545 6/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPT P10636 3/20 0.37
▸ HTR2B P41595 2/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37

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
SCHEMBL16951436 0.87 KCNK3 (0.44) RXFP1L3MBTL1LMNAALDH1A1SMN1; SMN2
SCHEMBL16953952 0.79 CNR1 (0.41) CNR1CNR2L3MBTL1MEN1KMT2A
SCHEMBL16957716 0.79 L3MBTL1 (0.40) L3MBTL1MEN1KMT2AHIF1ALMNA
SCHEMBL16955786 0.78 L3MBTL1 (0.38) CNR1CNR2L3MBTL1MEN1KMT2A
SCHEMBL16957713 0.78 L3MBTL1 (0.39) CNR1CNR2L3MBTL1MEN1KMT2A
SCHEMBL31193810 0.78 HTR7 (0.40) L3MBTL1HIF1ALMNAALDH1A1SMN1; SMN2
SCHEMBL18375050 0.77 MAPT (0.44) L3MBTL1MEN1KMT2AALDH1A1KDM4E
SCHEMBL16955784 0.77 L3MBTL1 (0.37) CNR1CNR2RXFP1L3MBTL1MEN1
SCHEMBL16961621 0.77 CNR1 (0.42) CNR1CNR2L3MBTL1MEN1KMT2A
SCHEMBL23748666 0.77 MEN1 (0.52) CNR1CNR2MEN1KMT2ALMNA

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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