SCHEMBL16950437

SCHEMBL16950437

O[CH]c1cccc(CO)c1Br

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.34
▸ PDCD1 Q15116 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33

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
SCHEMBL16955760 0.82 GABRA1 (0.35) GABRA1GABRB2SIRT2APOBEC3GPDCD1
SCHEMBL16953361 0.82 GABRA1 (0.61) GABRA1GABRB2
SCHEMBL595285 0.79 GABRA1 (0.55) GABRA1GABRB2APOBEC3GPDCD1CD274
SCHEMBL16958191 0.79 GABRA1 (0.42) GABRA1GABRB2
SCHEMBL16961225 0.75 SIRT2 (0.36) SIRT2APOBEC3GPDCD1CD274
SCHEMBL16960710 0.75 PNMT (0.34) SIRT2APOBEC3GPDCD1CD274
SCHEMBL16952801 0.75 PDCD1 (0.50) GABRA1GABRB2SIRT2APOBEC3GPDCD1
SCHEMBL16957607 0.73 HSD11B1 (0.39) —
SCHEMBL608328 0.73 GABRA1 (0.42) GABRA1GABRB2APOBEC3GPDCD1CD274
SCHEMBL16960334 0.72 PDCD1 (0.35) GABRA1GABRB2SIRT2APOBEC3GPDCD1

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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