SCHEMBL9839723

SCHEMBL9839723

CC(=O)CC(C)=O.CCCCN(CCCC)c1ccc(C(=CCC=C(c2ccc(C)cc2)c2ccc(N(CCCC)CCCC)cc2)c2ccc(C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.47
ERBB2 P04626 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.39
CNR2 P34972 2/20 0.39
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 2/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MCL1 Q07820 1/20 0.35
NOX1 Q9Y5S8 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN2A Q99250 1/20 0.35
ESRRG P62508 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL9749961 0.86 EGFR (0.44) EGFRERBB2CNR2POLBKMT2A
SCHEMBL9839720 0.81 EGFR (0.39) EGFRERBB2L3MBTL1CNR2MAPT
SCHEMBL11482209 0.79 EGFR (0.54) EGFRERBB2L3MBTL1CNR2MAPT
SCHEMBL627242 0.75 CYP2C19 (0.45) EGFRERBB2CNR2MAPTPOLB
SCHEMBL9750091 0.74 ALDH1A1 (0.50) MAPTPOLBGAAMEN1KMT2A
SCHEMBL11314840 0.74 EGFR (0.58) EGFRERBB2L3MBTL1CNR2MAPT
Lithium Ion SCHEMBL19732617 0.73 CYP2C19 (0.44) EGFRERBB2CNR2POLBGAA
SCHEMBL21065748 0.73 CYP2C19 (0.44) EGFRERBB2CNR2POLBGAA
SCHEMBL10473319 0.73 EGFR (0.47) EGFRERBB2L3MBTL1CNR2POLB
SCHEMBL1827424 0.72 EGFR (0.59) EGFRERBB2CNR2MAPTPOLB

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