SCHEMBL21268388

SCHEMBL21268388

COC(=O)c1c[c]cc(OCCCl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.47
▸ RAB9A P51151 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ LOXL2 Q9Y4K0 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ POLB P06746 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ XDH P47989 1/20 0.36

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
SCHEMBL17046334 0.86 MAPT (0.49) MAPTRAB9ATDP1L3MBTL1CA1
SCHEMBL17046327 0.84 MAPT (0.51) MAPTRAB9ATDP1L3MBTL1KDM4E
SCHEMBL17046253 0.82 MAPT (0.43) MAPTRAB9ATDP1L3MBTL1CA1
SCHEMBL21268172 0.82 PLA2G2A (0.42) RAB9AL3MBTL1NPC1ALDH1A1TSHR
SCHEMBL21268294 0.81 PARP10 (0.40) LMNAALDH1A1TSHR
SCHEMBL4284172 0.80 CA1 (0.52) MAPTRAB9ATDP1L3MBTL1CA1
SCHEMBL17046354 0.78 XDH (0.46) MAPTRAB9AL3MBTL1CA1CA2
SCHEMBL757102 0.78 MAPT (0.54) MAPTRAB9AL3MBTL1LOXL2POLB
SCHEMBL300172 0.77 CA1 (0.52) MAPTTDP1L3MBTL1CA1CA2
SCHEMBL21268232 0.77 CYP1A2 (0.43) MAPTRAB9ACA1CA2CA12

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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