SCHEMBL16952972

SCHEMBL16952972

C[C](C)c1cccc([N+](=O)[O-])c1OC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
TDP1 Q9NUW8 4/20 0.41
GPR35 Q9HC97 2/20 0.41
GLA P06280 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HSPB1 P04792 1/20 0.38
HTT P42858 1/20 0.38
P2RX1 P51575 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ERN1 O75460 1/20 0.37
CES2 O00748 1/20 0.37
ACHE P22303 1/20 0.37
CES1 P23141 1/20 0.37
CTSD P07339 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL16955816 0.86 TSHR (0.39) TSHRTDP1GPR35GLAALDH1A1
SCHEMBL16958951 0.85 TSHR (0.38) TSHRTDP1GPR35GLAALDH1A1
SCHEMBL16957718 0.81 TSHR (0.51) TSHRTDP1GPR35GLAALDH1A1
SCHEMBL16953062 0.80 TSHR (0.53) TSHRTDP1GPR35ALDH1A1HSPB1
SCHEMBL28150027 0.78 HSPB1 (0.49) TSHRTDP1GPR35ALDH1A1HSPB1
SCHEMBL16954017 0.77 ERN1 (0.45) TDP1GPR35ALDH1A1HSPB1HTT
SCHEMBL16960779 0.77 MAPT (0.48) TSHRTDP1GPR35ALDH1A1HTT
SCHEMBL16953059 0.76 TDP1 (0.41) TSHRTDP1GPR35ALDH1A1HSPB1
SCHEMBL16951102 0.76 TSHR (0.46) TSHRTDP1GPR35GLAALDH1A1
SCHEMBL21596978 0.76 MAPT (0.47) TSHRTDP1GPR35ALDH1A1HSPB1

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