SCHEMBL9839720

SCHEMBL9839720

CCCCN(CCCC)c1ccc(/C(=C\C(/C=C(/c2ccc(C)cc2)c2ccc(N(CCCC)CCCC)cc2)CC(=O)CC(C)=O)c2ccc(C)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.39
ERBB2 P04626 2/20 0.39
CNR2 P34972 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.34
ESRRG P62508 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
ADRB2 P07550 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN2A Q99250 1/20 0.32
MEN1 O00255 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
SCHEMBL9749957 0.88 HDAC3 (0.40) EGFRERBB2CNR2L3MBTL1ALDH1A1
SCHEMBL9839723 0.81 EGFR (0.47) EGFRERBB2CNR2L3MBTL1ESRRG
SCHEMBL9750086 0.78 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTHDAC3HDAC1
SCHEMBL9839524 0.77 CNR2 (0.45) EGFRERBB2CNR2L3MBTL1ALDH1A1
SCHEMBL9839734 0.76 EGFR (0.44) EGFRERBB2CNR2L3MBTL1ALDH1A1
SCHEMBL9838463 0.73 EGFR (0.46) EGFRERBB2CNR2ESRRGALDH1A1
SCHEMBL11482209 0.73 EGFR (0.54) EGFRERBB2CNR2L3MBTL1ALDH1A1
SCHEMBL9750072 0.71 MAPT (0.47) L3MBTL1ALDH1A1KDM4ELMNAMAPT
SCHEMBL627242 0.70 CYP2C19 (0.45) EGFRERBB2CNR2ALDH1A1KDM4E
SCHEMBL9840321 0.69 CNR2 (0.43) EGFRERBB2CNR2L3MBTL1ESRRG

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-5008238-A Thermosensitive material with phenolic developer RICOH COMPANY, LTD. (JP) 1991-04-16 US disclosed