SCHEMBL16952601

SCHEMBL16952601

C=[C]c1cccc(OC(F)F)c1OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 1/20 0.41
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
DRD1 P21728 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
HCRTR1 O43613 3/20 0.31
HCRTR2 O43614 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HPGD P15428 2/20 0.31
LMNA P02545 1/20 0.31
KCNN4 O15554 1/20 0.31
CASP1 P29466 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL16953915 0.86 NPSR1 (0.36) MEN1KMT2AALDH1A1L3MBTL1TDP1
SCHEMBL16958481 0.85 ALDH1A1 (0.41) MEN1KMT2ATSHRALDH1A1L3MBTL1
SCHEMBL16959448 0.82 DRD1 (0.34) ALDH1A1SMN1; SMN2DRD1HPGDLMNA
SCHEMBL16954028 0.82 SMN1; SMN2 (0.47) MEN1KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL16961864 0.81 MEN1 (0.43) MEN1KMT2ARAB9ATSHRALDH1A1
SCHEMBL16956742 0.80 L3MBTL1 (0.34) ALDH1A1L3MBTL1HCRTR1HCRTR2HPGD
SCHEMBL16957798 0.79 CHRM2 (0.39) TSHRALDH1A1SMN1; SMN2L3MBTL1CYP1A2
SCHEMBL16960096 0.79 DRD1 (0.33) MEN1KMT2ARAB9ATSHRALDH1A1
SCHEMBL16958272 0.79 L3MBTL1 (0.36) MEN1KMT2ARAB9ATSHRALDH1A1
SCHEMBL16961866 0.79 MEN1 (0.44) MEN1KMT2ARAB9ATSHRALDH1A1

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