SCHEMBL16961697

SCHEMBL16961697

C[C](C)c1cccc(CC(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.44
▸ GABRB2 P47870 2/20 0.44
▸ SLC7A5 Q01650 3/20 0.44
▸ FOLH1 Q04609 5/20 0.42
▸ MAP1LC3B Q9GZQ8 1/20 0.40
▸ MAP1LC3A Q9H492 1/20 0.40
▸ ANPEP P15144 1/20 0.40
▸ ENPEP Q07075 1/20 0.40
▸ PNMT P11086 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL29478099 0.85 SLC7A5 (0.49) GABRA1GABRB2SLC7A5FOLH1MAP1LC3B
SCHEMBL4054915 0.85 SLC7A5 (0.49) GABRA1GABRB2SLC7A5FOLH1MAP1LC3B
SCHEMBL16961158 0.83 SLC7A5 (0.41) GABRA1GABRB2SLC7A5FOLH1MAP1LC3B
SCHEMBL16955110 0.82 SLC7A5 (0.40) GABRA1GABRB2SLC7A5FOLH1MAP1LC3B
SCHEMBL8098358 0.81 FOLH1 (0.47) GABRA1GABRB2SLC7A5FOLH1MAP1LC3B
SCHEMBL765921 0.81 FOLH1 (0.61) FOLH1ANPEPENPEP
SCHEMBL16953520 0.80 SLC7A5 (0.39) GABRA1GABRB2SLC7A5FOLH1MAP1LC3B
SCHEMBL8539519 0.80 GABRA1 (0.50) GABRA1GABRB2PNMTTAAR1
SCHEMBL11451639 0.79 MAP1LC3B (0.41) GABRA1GABRB2SLC7A5FOLH1MAP1LC3B
SCHEMBL22642104 0.79 SLC7A5 (0.41) GABRA1GABRB2SLC7A5FOLH1ANPEP

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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