SCHEMBL12758234

SCHEMBL12758234

CCCCCCCCOC(=O)/C(C#N)=C\C=C\N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.48
▸ GAA P10253 2/20 0.48
▸ RECQL P46063 1/20 0.46
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ TSHR P16473 4/20 0.41
▸ CASP1 P29466 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ POLB P06746 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPT P10636 7/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KDM4E B2RXH2 3/20 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
SCHEMBL12292355 0.90 MAPT (0.42) ALDH1A1GAAMEN1KMT2ATSHR
SCHEMBL12260843 0.90 MAPT (0.42) ALDH1A1GAAMEN1KMT2ATSHR
SCHEMBL9889261 0.90 MAPT (0.42) ALDH1A1GAAMEN1KMT2ATSHR
SCHEMBL19240031 0.86 ALDH1A1 (0.64) ALDH1A1GAARECQLMEN1KMT2A
SCHEMBL12294365 0.85 MAPT (0.39) ALDH1A1GAAMEN1KMT2ATSHR
SCHEMBL15761685 0.85 ALDH1A1 (0.52) ALDH1A1GAARECQLMEN1KMT2A
SCHEMBL12758242 0.80 ALDH1A1 (0.48) ALDH1A1GAARECQLMEN1KMT2A
SCHEMBL12294071 0.79 RECQL (0.68) ALDH1A1GAARECQLMEN1KMT2A
SCHEMBL12526176 0.78 DNM1 (0.39) ALDH1A1GAARECQLMEN1KMT2A
SCHEMBL15761698 0.77 RECQL (0.45) ALDH1A1GAARECQLMEN1KMT2A

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-20110057155-A1 ULTRAVIOLET ABSORBENT COMPOSITION FUJIFILM CORPORATION (JP) 2011-03-10 — — US disclosed
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