SCHEMBL16952360

SCHEMBL16952360

N#Cc1ccc(OC(F)F)c(CO)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ EPAS1 Q99814 2/20 0.37
▸ SLC6A4 P31645 3/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ HTR2A P28223 1/20 0.35
▸ SLC22A12 Q96S37 1/20 0.34

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
SCHEMBL16959961 0.84 IRAK4 (0.40) PTGDR2SLC6A4KCNH2SLC6A3HTR2A
SCHEMBL10164859 0.79 SLC22A12 (0.43) SLC6A4PDE4BSLC22A12
SCHEMBL16177839 0.78 CA12 (0.38) PTGDR2PDE4BSLC22A12
SCHEMBL7666667 0.78 SLC6A4 (0.49) PTGDR2SLC6A4KCNH2SLC6A3PDE4B
SCHEMBL16955766 0.77 PTGDR2 (0.39) PTGDR2SLC6A4KCNH2SLC6A3HTR2A
SCHEMBL16958139 0.76 NTRK1 (0.40) SLC6A4KCNH2SLC6A3PDE4BHTR2A
SCHEMBL2448493 0.76 USP30 (0.41) SLC22A12
SCHEMBL16952358 0.75 PDE4B (0.39) PTGDR2PDE4BSLC22A12
SCHEMBL16958689 0.75 TRPV4 (0.50) PTGDR2SLC6A4KCNH2SLC6A3PDE4B
SCHEMBL14150477 0.75 KDM4E (0.39) KCNH2PDE4BSLC22A12

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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