SCHEMBL16956291

SCHEMBL16956291

[CH2]C(CO)c1cc([N+](=O)[O-])ccc1OC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HTT P42858 3/20 0.49
▸ TTR P02766 1/20 0.48
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ ALDH1A1 P00352 6/20 0.45
▸ PKM P14618 1/20 0.45
▸ MAPT P10636 4/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CYP19A1 P11511 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL16952486 0.87 MAPT (0.48) TDP1SMN1; SMN2LMNAHTTMEN1
SCHEMBL16959952 0.86 CYP19A1 (0.46) TDP1SMN1; SMN2LMNAHTTTTR
SCHEMBL16959328 0.86 TDP1 (0.51) TDP1SMN1; SMN2LMNAHTTTTR
SCHEMBL16952073 0.83 MAPT (0.44) TDP1SMN1; SMN2LMNAHTTTTR
SCHEMBL16961003 0.82 AKR1C3 (0.41) TDP1SMN1; SMN2LMNAHTTTTR
SCHEMBL16956994 0.82 SMN1; SMN2 (0.57) TDP1SMN1; SMN2LMNAHTTMEN1
SCHEMBL16957705 0.81 ALDH1A1 (0.51) TDP1SMN1; SMN2LMNAHTTKMT2A
SCHEMBL16962137 0.79 TDP1 (0.54) TDP1SMN1; SMN2LMNAHTTMEN1
SCHEMBL16955468 0.79 CYP1A2 (0.41) TDP1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL16955947 0.79 ALDH1A1 (0.42) TDP1SMN1; SMN2MEN1KMT2AALDH1A1

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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