SCHEMBL16958932

SCHEMBL16958932

C[C](C)c1cc(Cl)cc(CO)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.36
TPMT P51580 1/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
RECQL P46063 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
IDO1 P14902 2/20 0.31
PRKCA P17252 1/20 0.31
PRKCD Q05655 1/20 0.31
CYP4F2 P78329 2/20 0.31
CYP4A11 Q02928 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
GRIN2B Q13224 1/20 0.30

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
SCHEMBL16956831 0.83 GAA (0.37) TPMTIDO1KDM4EHTT
SCHEMBL16952368 0.79 CNR2 (0.39) TPMTKDM4EHTT
SCHEMBL16961880 0.79 RAB9A (0.34) ACHEGRNSORT1
SCHEMBL28957378 0.78 ACHE (0.48) ACHERECQLIDO1KDM4EFFAR4
SCHEMBL3073672 0.78 TSHR (0.50) TPMTGRNSORT1RECQLKDM4E
SCHEMBL92904 0.78 TSHR (0.50) ACHETPMTRECQLIDO1KDM4E
SCHEMBL16952211 0.78 GABRA1 (0.35) GRNSORT1
SCHEMBL8979358 0.77 TPMT (0.64) TPMTHTTFFAR4
SCHEMBL16954556 0.76 HPGD (0.44) HTT
SCHEMBL3488223 0.75 ADRA1D (0.50) TPMTKDM4EHTTFFAR4PRSS1

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