SCHEMBL9681731

SCHEMBL9681731

CCOCCc1ccc(OCCBr)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.43
▸ LMNA P02545 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ SLCO1B3 Q9NPD5 1/20 0.42
▸ SLCO1B1 Q9Y6L6 1/20 0.42
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ CHRNA7 P36544 1/20 0.41
▸ NQO1 P15559 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39

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
SCHEMBL10434808 0.85 LMNA (0.55) HRH3LMNAL3MBTL1ALDH1A1MEN1
SCHEMBL2415919 0.83 ALDH1A1 (0.54) HRH3LMNAL3MBTL1ALDH1A1MEN1
SCHEMBL9324819 0.82 LTA4H (0.51) HRH3LMNAL3MBTL1CYP3A4SMN1; SMN2
SCHEMBL9680280 0.81 NR3C1 (0.48) HRH3LMNAL3MBTL1NPC1RAB9A
SCHEMBL1338721 0.80 KCNH2 (0.41) ALDH1A1SMN1; SMN2RAB9AKCNH2
SCHEMBL3137971 0.80 LMNA (0.54) HRH3LMNAL3MBTL1ALDH1A1MEN1
SCHEMBL2412878 0.79 LMNA (0.55) HRH3LMNAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL20442602 0.78 NQO1 (0.67) L3MBTL1ALDH1A1SMN1; SMN2NQO1
SCHEMBL9541070 0.78 THRA (0.45) LMNAL3MBTL1ALDH1A1MEN1USP2
SCHEMBL10793001 0.77 TAAR1 (0.55) L3MBTL1KMT2ASMN1; SMN2NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5081144-A PYRAZOLEOXIME DERIVATIVE AND INSECTICIDE, ACARICIDE AND FUNGICIDE UBE INDUSTRIES, LTD. (JP) 1992-01-14 — — US disclosed
EP-0391685-A1 Pyrazoleoxime derivatives and insecticides, acaricides and fungicides UBE INDUSTRIES, LTD. (JP) 1990-10-10 — — EP disclosed
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