SCHEMBL21268229

SCHEMBL21268229

O=C(O)c1c[c]cc(OC(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.42
▸ ALOX15 P16050 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ ADAM17 P78536 1/20 0.39
▸ ATM Q13315 2/20 0.37
▸ MAPT P10636 4/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KMT2A Q03164 5/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ NPSR1 Q6W5P4 3/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ TAS2R14 Q9NYV8 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ TEAD4 Q15561 1/20 0.35
▸ ALKBH1 Q13686 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL21268356 0.84 ALOX15 (0.38) MRGPRX4ALOX15GFERADAM17ATM
SCHEMBL4326569 0.82 KMT2A (0.55) KMT2AMEN1RAB9ALMNAALDH1A1
SCHEMBL21268378 0.81 GFER (0.39) ALOX15GFERADAM17MAPTTSHR
SCHEMBL27893362 0.79 MRGPRX4 (0.47) MRGPRX4ALOX15GFERADAM17ATM
SCHEMBL4235825 0.79 MRGPRX4 (0.47) MRGPRX4ALOX15GFERADAM17ATM
SCHEMBL900768 0.78 DRD1 (0.33) ALOX15GFERADAM17ATMMAPT
SCHEMBL4316500 0.76 CA1 (0.50) KMT2AMEN1RAB9ALMNAALDH1A1
SCHEMBL21268274 0.75 AURKA (0.45) MRGPRX4TSHRKMT2AMEN1RAB9A
SCHEMBL30744738 0.74 MRGPRX4 (0.63) MRGPRX4ATMMAPTKMT2AMEN1
SCHEMBL1965898 0.74 MRGPRX4 (0.63) MRGPRX4ATMMAPTKMT2AMEN1

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-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 — — EP disclosed
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