SCHEMBL16951963

SCHEMBL16951963

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 2/20 0.42
AR P10275 1/20 0.41
ERN1 O75460 1/20 0.40
GPR35 Q9HC97 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL16951502 0.85 MAPT (0.43) TSHRALDH1A1ERN1SMN1; SMN2L3MBTL1
SCHEMBL16958951 0.83 TSHR (0.38) TSHRTDP1ALDH1A1ARERN1
SCHEMBL16961097 0.83 TSHR (0.61) TSHRTDP1ALDH1A1ERN1GPR35
SCHEMBL16957718 0.83 TSHR (0.51) TSHRTDP1ALDH1A1ARERN1
SCHEMBL29686473 0.81 TSHR (0.54) TSHRTDP1ALDH1A1ARGPR35
SCHEMBL7111424 0.81 TSHR (0.54) TSHRTDP1ALDH1A1ARGPR35
SCHEMBL16955472 0.79 TSHR (0.44) TSHRTDP1ALDH1A1ERN1GPR35
SCHEMBL16958092 0.79 TSHR (0.44) TSHRTDP1ALDH1A1ERN1GPR35
SCHEMBL16954032 0.79 TSHR (0.44) TSHRTDP1ALDH1A1ERN1GPR35
SCHEMBL16955342 0.79 TSHR (0.44) TSHRTDP1ALDH1A1ERN1GPR35

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