SCHEMBL21268378

SCHEMBL21268378

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ADAM17 P78536 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ MAPT P10636 4/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ LMNA P02545 4/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ NPC1 O15118 2/20 0.37

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
SCHEMBL21268229 0.81 MRGPRX4 (0.42) GFERALOX15ADAM17POLBMAPT
SCHEMBL4284172 0.81 CA1 (0.52) GFERPOLBCA1CA2CA12
SCHEMBL3855637 0.81 CA1 (0.48) GFERALOX15ADAM17POLBCA1
SCHEMBL21268356 0.80 ALOX15 (0.38) GFERALOX15ADAM17POLBMAPT
SCHEMBL21268141 0.79 MRGPRX4 (0.45) GFERPOLBCA1CA2CA12
SCHEMBL300172 0.78 CA1 (0.52) GFERALOX15POLBCA1CA2
SCHEMBL17046253 0.77 MAPT (0.43) GFERPOLBCA1CA2CA12
SCHEMBL7405863 0.77 CA1 (0.40) GFERPOLBCA1CA2CA12
SCHEMBL30744976 0.77 LMNA (0.56) POLBMAPTALDH1A1HTTTSHR
SCHEMBL1854891 0.77 LMNA (0.56) POLBMAPTALDH1A1HTTTSHR

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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