SCHEMBL16962935

SCHEMBL16962935

CCc1cccc([CH]O)c1F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 4/20 0.45
▸ GABRB2 P47870 4/20 0.45
▸ KAT6A Q92794 2/20 0.37
▸ ERN1 O75460 1/20 0.34
▸ DAO P14920 2/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ MEP1B Q16820 1/20 0.32
▸ IAPP P10997 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
SCHEMBL16957892 0.85 CTSL (0.35) GABRA1GABRB2DAOIAPP
SCHEMBL16961225 0.82 SIRT2 (0.36) ERN1PDK2
SCHEMBL1619349 0.82 ERN1 (0.44) GABRA1GABRB2KAT6AERN1MEN1
SCHEMBL16950364 0.80 GABRA1 (0.40) GABRA1GABRB2KAT6AERN1DAO
SCHEMBL22306130 0.78 GABRA1 (0.55) GABRA1GABRB2KAT6ADAOMEN1
SCHEMBL16958549 0.78 GABRA1 (0.46) GABRA1GABRB2DAOMAPTHTT
SCHEMBL16960918 0.78 GABRA1 (0.46) GABRA1GABRB2DAOIAPP
SCHEMBL16950740 0.76 GABRA1 (0.45) GABRA1GABRB2LMNASMN1; SMN2PDK2
SCHEMBL16953361 0.76 GABRA1 (0.61) GABRA1GABRB2DAOIAPP
SCHEMBL16955436 0.76 GABRA1 (0.45) GABRA1GABRB2LMNASMN1; SMN2PDK2

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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