SCHEMBL7569240

SCHEMBL7569240

CCCOC(=O)/C(C#N)=C1/CC(C)(C)c2cc(OC)c(OC)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.34
HTT P42858 3/20 0.34
PKM P14618 1/20 0.34
KDM4E B2RXH2 6/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.33
ALOX5 P09917 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
GAA P10253 1/20 0.31
ALOX12 P18054 1/20 0.31
HIF1A Q16665 1/20 0.31
PLK1 P53350 1/20 0.31
RXRA P19793 2/20 0.31
MAPT P10636 2/20 0.31
MAPK1 P28482 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RAB9A P51151 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
SCHEMBL7569244 1.00 ALDH1A1 (0.34) ALDH1A1HTTPKMKDM4ELMNA
SCHEMBL14542891 1.00 ALDH1A1 (0.34) ALDH1A1HTTPKMKDM4ELMNA
SCHEMBL7742045 0.91 ALDH1A1 (0.42) ALDH1A1HTTPKMKDM4ELMNA
SCHEMBL6554562 0.91 ALDH1A1 (0.42) ALDH1A1HTTPKMKDM4ELMNA
SCHEMBL6554805 0.84 LMNA (0.31) ALDH1A1HTTKDM4ELMNA
SCHEMBL6554823 0.84 LMNA (0.31) ALDH1A1HTTPKMKDM4ELMNA
SCHEMBL6554890 0.84 ALDH1A1 (0.31) ALDH1A1HTTKDM4ELMNA
SCHEMBL6554592 0.83 ALDH1A1 (0.37) ALDH1A1HTTPKMKDM4ELMNA
SCHEMBL6554596 0.83 ALDH1A1 (0.37) ALDH1A1HTTPKMKDM4ELMNA
SCHEMBL6553263 0.83 ALDH1A1 (0.37) ALDH1A1HTTPKMKDM4ELMNA

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-20020027700-A1 Electrochromic display device having high edge sharpness BAYER AKTIENGESELLSCHAFT (DE) 2002-03-07 US disclosed