SCHEMBL16955110

SCHEMBL16955110

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 4/20 0.40
▸ GABRA1 P14867 2/20 0.40
▸ GABRB2 P47870 2/20 0.40
▸ FOLH1 Q04609 5/20 0.39
▸ MAP1LC3B Q9GZQ8 1/20 0.38
▸ MAP1LC3A Q9H492 1/20 0.38
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ ANPEP P15144 1/20 0.36
▸ ENPEP Q07075 1/20 0.36
▸ PNMT P11086 1/20 0.36

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
SCHEMBL16961158 0.84 SLC7A5 (0.41) SLC7A5GABRA1GABRB2FOLH1MAP1LC3B
SCHEMBL16960734 0.82 GABRA1 (0.36) GABRA1GABRB2HTR2A
SCHEMBL16961697 0.82 GABRA1 (0.44) SLC7A5GABRA1GABRB2FOLH1MAP1LC3B
SCHEMBL16957336 0.80 BCL2 (0.41) SLC7A5FOLH1
SCHEMBL16953728 0.80 PRSS1 (0.52) FOLH1
SCHEMBL4054915 0.79 SLC7A5 (0.49) SLC7A5GABRA1GABRB2FOLH1MAP1LC3B
SCHEMBL29478099 0.79 SLC7A5 (0.49) SLC7A5GABRA1GABRB2FOLH1MAP1LC3B
SCHEMBL16957911 0.77 KAT6A (0.43) MAP1LC3BMAP1LC3A
SCHEMBL16958558 0.76 OPRM1 (0.33) GABRA1GABRB2
SCHEMBL16959687 0.76 GABRA1 (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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