SCHEMBL16952358

SCHEMBL16952358

N#Cc1ccc(OC(F)F)c([CH]O)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.39
▸ CCR5 P51681 2/20 0.36
▸ SLC22A12 Q96S37 1/20 0.35
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ TDP2 O95551 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ AR P10275 3/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ JAK3 P52333 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
SCHEMBL16959958 0.83 IRAK4 (0.38) AR
SCHEMBL16957729 0.83 EPAS1 (0.35) PDE4BCCR5SLC22A12CYP11B1CYP11B2
SCHEMBL10164859 0.80 SLC22A12 (0.43) PDE4BSLC22A12AR
SCHEMBL16955355 0.79 AR (0.47) PDE4BAR
SCHEMBL16177839 0.79 CA12 (0.38) PDE4BSLC22A12CYP11B1CYP11B2PTGDR2
SCHEMBL16955763 0.79 HRH4 (0.36) CCR5TDP2PTGDR2
SCHEMBL2448493 0.77 USP30 (0.41) SLC22A12CYP11B1CYP11B2AR
SCHEMBL16958137 0.77 MAPT (0.40) PDE4B
SCHEMBL14150477 0.76 KDM4E (0.39) PDE4BSLC22A12AR
SCHEMBL22658071 0.76 NR3C1 (0.39) SLC22A12CYP11B1CYP11B2AR

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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