SCHEMBL9838463

SCHEMBL9838463

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.46
ERBB2 P04626 2/20 0.46
CNR2 P34972 3/20 0.40
ALDH1A1 P00352 3/20 0.37
ADRB2 P07550 1/20 0.37
ESRRG P62508 1/20 0.36
POLB P06746 2/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
SLC16A3 O15427 1/20 0.34
SLC16A1 P53985 1/20 0.34
MCL1 Q07820 1/20 0.34
NOX1 Q9Y5S8 1/20 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
SCHEMBL9839536 0.92 EGFR (0.43) EGFRERBB2CNR2ALDH1A1ESRRG
SCHEMBL9838517 0.86 MAPT (0.47) CNR2ALDH1A1ESRRGPOLBGAA
SCHEMBL9839527 0.85 CNR2 (0.45) EGFRERBB2CNR2ALDH1A1ADRB2
SCHEMBL9839717 0.81 HDAC3 (0.43) EGFRERBB2CNR2ALDH1A1POLB
SCHEMBL9838222 0.78 EGFR (0.40) EGFRERBB2CNR2ALDH1A1ESRRG
SCHEMBL9838206 0.78 ALDH1A1 (0.48) ALDH1A1POLBGAAKDM4EMAPT
SCHEMBL9838241 0.76 CNR2 (0.43) EGFRERBB2CNR2ALDH1A1ADRB2
SCHEMBL10426771 0.76 EGFR (0.39) EGFRERBB2CNR2ALDH1A1ESRRG
SCHEMBL11314840 0.76 EGFR (0.58) EGFRERBB2CNR2ALDH1A1ESRRG
SCHEMBL9839524 0.74 CNR2 (0.45) EGFRERBB2CNR2ALDH1A1ADRB2

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-5057154-A Colorfastness, stability RICOH COMPANY, LTD. (JP) 1991-10-15 US disclosed
US-4939117-A Leuco dyes and recording material employing the same RICOH COMPANY, LTD. (JP) 1990-07-03 US disclosed