SCHEMBL10458227

SCHEMBL10458227

COc1ccc(OCCF)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 6/20 0.78
▸ MAPT P10636 3/20 0.55
▸ CA12 O43570 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ CA7 P43166 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ CA14 Q9ULX7 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ MTNR1A P48039 1/20 0.48
▸ MTNR1B P49286 1/20 0.48
▸ DRD2 P14416 1/20 0.48
▸ DRD4 P21917 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ MAOB P27338 2/20 0.47
▸ AOC3 Q16853 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ NPC1 O15118 1/20 0.47

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
SCHEMBL18429788 0.88 APP (1.00) APPMAPTALDH1A1MAOBNPC1
SCHEMBL18429716 0.88 APP (1.00) APPMAPTALDH1A1MAOBNPC1
SCHEMBL10457449 0.87 APP (0.59) APPCA12CA1CA9ALDH1A1
SCHEMBL10980310 0.87 APP (0.83) APPCA1CA2MAOBNPC1
SCHEMBL1343630 0.85 CA12 (0.65) APPMAPTCA12CA1CA2
SCHEMBL8434882 0.82 CA12 (0.61) APPMAPTCA12CA1CA2
SCHEMBL9808262 0.82 MAPT (0.62) APPMAPTCA12CA1CA2
SCHEMBL77535 0.81 ALDH1A1 (0.60) APPMAPTCA12CA1CA2
SCHEMBL8274286 0.81 L3MBTL1 (0.59) APPALDH1A1DRD2DRD4DRD3
SCHEMBL2628228 0.81 L3MBTL1 (0.59) APPALDH1A1DRD2DRD4DRD3

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
US-4960884-A Insecticides, nematocides, pesticides and miticides FMC CORPORATION (US) 1990-10-02 — — US claimed
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