SCHEMBL16952486

SCHEMBL16952486

[CH2]C(CO)c1cc([N+](=O)[O-])ccc1OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ LMNA P02545 3/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ CYSLTR2 Q9NS75 1/20 0.45
▸ CYSLTR1 Q9Y271 1/20 0.45
▸ POLB P06746 3/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPBWR1 P48145 1/20 0.44
▸ MCHR1 Q99705 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PTGS2 P35354 1/20 0.40

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
SCHEMBL16956291 0.87 TDP1 (0.51) MAPTALDH1A1LMNAKMT2AHTT
SCHEMBL16956517 0.86 MAPT (0.48) MAPTALDH1A1LMNAKMT2ANPSR1
SCHEMBL16959952 0.85 CYP19A1 (0.46) MAPTALDH1A1LMNAKMT2ACYSLTR2
SCHEMBL16958113 0.84 MAPT (0.51) MAPTALDH1A1LMNAKMT2ANPSR1
SCHEMBL16952073 0.82 MAPT (0.44) MAPTALDH1A1LMNAKMT2ANPSR1
SCHEMBL16956438 0.82 MAPT (0.49) MAPTALDH1A1LMNAKMT2ANPSR1
SCHEMBL16955468 0.81 CYP1A2 (0.41) MAPTALDH1A1KMT2APOLBHTT
SCHEMBL16961003 0.81 AKR1C3 (0.41) MAPTALDH1A1LMNAKMT2ANPSR1
SCHEMBL16957705 0.80 ALDH1A1 (0.51) MAPTALDH1A1LMNAKMT2AHTT
SCHEMBL16953601 0.79 MAPT (0.55) MAPTALDH1A1LMNAKMT2ANPSR1

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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