SCHEMBL16961779

SCHEMBL16961779

C=C[C](C)c1cccc(C2CC2)c1OC

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.35
▸ HTR2C P28335 2/20 0.33
▸ ALOX5AP P20292 4/20 0.33
▸ FEN1 P39748 4/20 0.33
▸ POLL Q9UGP5 1/20 0.33
▸ NOTUM Q6P988 1/20 0.32
▸ MEN1 O00255 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ PDK4 Q16654 1/20 0.31
▸ PIN1 Q13526 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ TAS1R3 Q7RTX0 3/20 0.30
▸ TAS1R1 Q7RTX1 3/20 0.30
▸ TAS1R2 Q8TE23 1/20 0.30

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
SCHEMBL16957517 0.84 HCRTR1 (0.31) NOTUM
SCHEMBL16962726 0.82 TDP1 (0.39) TDP1HTR2CALOX5APFEN1POLL
SCHEMBL16952506 0.80 HTR2C (0.40) HTR2CNOTUMPDK2PDK4TAS1R3
SCHEMBL16952964 0.78 NOTUM (0.33) NOTUM
SCHEMBL16960028 0.78 TAS1R3 (0.34) NOTUMTAS1R3TAS1R1TAS1R2
SCHEMBL16962251 0.78 NOTUM (0.33) NOTUM
SCHEMBL16956098 0.78 NOTUM (0.39) NOTUMTAS1R3TAS1R1TAS1R2
SCHEMBL16952907 0.77 ALDH1A1 (0.42) MEN1KMT2ANPSR1TAS1R3TAS1R1
SCHEMBL16958770 0.77 TDP1 (0.36) TDP1HTR2CALOX5APFEN1NOTUM
SCHEMBL4591641 0.76 APEX1 (0.43) TDP1NOTUMMEN1KMT2APDK2

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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