SCHEMBL16953752

SCHEMBL16953752

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

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 4/20 0.38
▸ GABRA1 P14867 2/20 0.31
▸ GABRB2 P47870 2/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL16960544 0.85 HMGCR (0.41) HMGCRGABRA1GABRB2L3MBTL1
SCHEMBL16959308 0.84 GABRA1 (0.37) GABRA1GABRB2
SCHEMBL16956767 0.81 HSPA5 (0.35) GABRA1GABRB2
SCHEMBL16955754 0.80 GABRA1 (0.46) GABRA1GABRB2
SCHEMBL16959870 0.79 GABRA1 (0.31) GABRA1GABRB2
SCHEMBL25774449 0.78 HMGCR (0.49) HMGCRGABRA1GABRB2L3MBTL1
SCHEMBL9879684 0.78 HMGCR (0.53) HMGCRGABRA1GABRB2L3MBTL1
SCHEMBL16960619 0.78 HMGCR (0.39) HMGCR
SCHEMBL16951869 0.78 SLC7A5 (0.41) GABRA1GABRB2
SCHEMBL16959004 0.78 OPRM1 (0.33) GABRA1GABRB2

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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