SCHEMBL19240084

SCHEMBL19240084

CC1CCN(/C=C/C=C2C(=O)CC(C)(C)CC2=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.42
▸ MAPT P10636 5/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ APP P05067 1/20 0.38
▸ CYP11B2 P19099 1/20 0.36
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ BRCA1 P38398 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ GAA P10253 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ MAOA P21397 1/20 0.32

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
SCHEMBL19240076 0.85 ALDH1A1 (0.47) ALDH1A1MAPTL3MBTL1APPKMT2A
SCHEMBL19240074 0.84 ALDH1A1 (0.46) ALDH1A1MAPTL3MBTL1APPCYP11B2
SCHEMBL19240060 0.80 ALDH1A1 (0.67) ALDH1A1MAPTL3MBTL1APPKMT2A
SCHEMBL20456227 0.67 ALDH1A1 (0.33) ALDH1A1KMT2AMEN1GAAPOLB
SCHEMBL13855924 0.65 POLB (0.61) ALDH1A1MAPTL3MBTL1APPKMT2A
SCHEMBL10098421 0.65 POLB (0.61) ALDH1A1MAPTL3MBTL1APPKMT2A
SCHEMBL19240097 0.64 APP (0.44) ALDH1A1MAPTL3MBTL1APPKMT2A
SCHEMBL9889302 0.61 ALDH1A1 (0.40) ALDH1A1APPHTT
SCHEMBL14562186 0.60 GAA (0.57) ALDH1A1MAPTAPPKMT2AMEN1
SCHEMBL60469 0.60 ALDH1A1 (0.47) ALDH1A1MAPTL3MBTL1APPKMT2A

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-20170235032-A1 OPTICAL FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-17 — — US disclosed
US-20170235032-A1 OPTICAL FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-17 — — US disclosed
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