SCHEMBL16953826

SCHEMBL16953826

C[C](CO)c1cc(C#N)cc(OCC(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ POLB P06746 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ ACACB O00763 5/20 0.35
▸ MMP2 P08253 2/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ RARA P10276 1/20 0.33
▸ RARB P10826 1/20 0.33
▸ RARG P13631 1/20 0.33
▸ GCK P35557 1/20 0.33
▸ XDH P47989 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ KAT6A Q92794 1/20 0.33

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
SCHEMBL16956842 0.86 MAPT (0.40) MAPTALDH1A1POLBHPGDXBP1
SCHEMBL16957056 0.83 MEN1 (0.37) MAPTALDH1A1POLBHPGDXBP1
SCHEMBL16954235 0.83 MAPT (0.40) MAPTALDH1A1
SCHEMBL16956610 0.83 HPGD (0.40) MAPTALDH1A1POLBHPGDXBP1
SCHEMBL16957061 0.80 MAOB (0.36) MAPTALDH1A1POLBHPGDXBP1
SCHEMBL16953386 0.80 F2 (0.35) MAPTPOLBHPGDXBP1NR1H4
SCHEMBL16956671 0.80 MAPT (0.35) MAPTALDH1A1POLBHPGDXBP1
SCHEMBL16951966 0.80 PDE4A (0.38) MAPTALDH1A1
SCHEMBL16952431 0.79 HPGD (0.37) MAPTALDH1A1POLBHPGDXBP1
SCHEMBL16951305 0.79 MAPT (0.34) MAPTALDH1A1POLBHPGDXBP1

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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