SCHEMBL19239996

SCHEMBL19239996

CCCCC1C/C(=C\C=C2C(=O)CC(C)(C)CC2=O)N(C)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ ALDH1A1 P00352 5/20 0.34
▸ MAPT P10636 3/20 0.34
▸ USP2 O75604 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ THRB P10828 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL19240012 0.66 ALDH1A1 (0.36) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL19240010 0.65 ALDH1A1 (0.47) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL28740036 0.63 BRD4 (0.61) ALDH1A1BRD4L3MBTL1
SCHEMBL19239986 0.62 ALDH1A1 (0.36) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL19239987 0.62 ALDH1A1 (0.37) KMT2AHTTALDH1A1MAPTGAA
SCHEMBL19240013 0.61 ALDH1A1 (0.36) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL4544722 0.61 APP (0.41) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL19239995 0.60 ALDH1A1 (0.41) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL8518775 0.59 CYP1A2 (0.43) ALDH1A1GAABRD4
SCHEMBL19240019 0.59 ALDH1A1 (0.46) KMT2AHTTALDH1A1MAPTUSP2

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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