SCHEMBL16954498

SCHEMBL16954498

CCOc1cccc([CH]O)c1OC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.40
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ ATM Q13315 2/20 0.38
▸ AGTR1 P30556 1/20 0.38
▸ L3MBTL1 Q9Y468 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ MAPT P10636 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ GRM5 P41594 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ IGF1R P08069 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ BACE1 P56817 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
SCHEMBL16961971 0.88 CHRM2 (0.36) MEN1KMT2ANPC1L3MBTL1ALDH1A1
SCHEMBL16953545 0.88 GSK3A (0.38) PDK2MEN1KMT2ANPC1ATM
SCHEMBL16958235 0.86 L3MBTL1 (0.37) PDK2MEN1KMT2ANPC1ATM
SCHEMBL16960196 0.85 MEN1 (0.42) MEN1KMT2ANPC1ATMAGTR1
SCHEMBL16951128 0.83 GAA (0.36) L3MBTL1ALDH1A1KDM4E
SCHEMBL16950630 0.82 NFE2L2 (0.47) SMN1; SMN2KDM4ECYP1A2HPGDLMNA
SCHEMBL16959860 0.82 NPC1 (0.52) MEN1KMT2ANPC1ATMAGTR1
SCHEMBL16955079 0.82 GSK3A (0.36) PDK2MEN1KMT2ANPC1ATM
SCHEMBL16952225 0.81 NFE2L2 (0.33) L3MBTL1ALDH1A1LMNA
SCHEMBL16955192 0.79 L3MBTL1 (0.41) PDK2MEN1KMT2ANPC1ATM

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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