SCHEMBL16950657

SCHEMBL16950657

C=[C]c1cc(CCC)cc(C(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 1/20 0.34
▸ HTR1D P28221 1/20 0.32

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
SCHEMBL16952161 0.90 NPC1 (0.37) HMGCRHTR1D
SCHEMBL16954999 0.85 HMGCR (0.35) HMGCR
SCHEMBL16960706 0.84 GABRA2 (0.35) —
SCHEMBL16958799 0.82 CNR1 (0.34) —
SCHEMBL9935963 0.80 HTR1D (0.40) HMGCRHTR1D
SCHEMBL1033820 0.80 GABRA1 (0.44) HMGCRHTR1D
SCHEMBL16958885 0.77 HMGCR (0.45) HMGCR
SCHEMBL16961504 0.77 CNR1 (0.31) —
SCHEMBL16954777 0.76 HPGD (0.42) —
SCHEMBL16958588 0.76 FFAR4 (0.36) —

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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