SCHEMBL16956509

SCHEMBL16956509

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ NR1H4 Q96RI1 3/20 0.33
▸ ACACB O00763 2/20 0.33
▸ FOS P01100 2/20 0.33
▸ JUN P05412 2/20 0.33
▸ RARA P10276 1/20 0.32
▸ RARB P10826 1/20 0.32
▸ RARG P13631 1/20 0.32
▸ GCK P35557 1/20 0.32
▸ XDH P47989 1/20 0.32
▸ KAT6A Q92794 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ GPR88 Q9GZN0 1/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL16954309 0.86 PTGS2 (0.36) MAPTHPGDACACBKDM4EMEN1
SCHEMBL16953332 0.85 MAPT (0.36) MAPTPOLBHPGDXBP1NR1H4
SCHEMBL16953386 0.83 F2 (0.35) MAPTPOLBHPGDXBP1NR1H4
SCHEMBL16956610 0.83 HPGD (0.40) MAPTPOLBHPGDXBP1RARA
SCHEMBL16957056 0.83 MEN1 (0.37) MAPTPOLBHPGDXBP1NR1H4
SCHEMBL16957061 0.83 MAOB (0.36) MAPTPOLBHPGDXBP1NR1H4
SCHEMBL16955483 0.82 ABCB11 (0.36) KDM4EMEN1KMT2AALDH1A1HTT
SCHEMBL16957419 0.81 FFAR4 (0.39) MAPTPOLBHPGDXBP1NR1H4
SCHEMBL16952431 0.81 HPGD (0.37) MAPTPOLBHPGDXBP1NR1H4
SCHEMBL16951305 0.81 MAPT (0.34) MAPTPOLBHPGDXBP1NR1H4

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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