SCHEMBL9839743

SCHEMBL9839743

CCCCOC(=O)CC(=O)OCCCC.CN(C)c1ccc(C(=CCC=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
RAB9A P51151 2/20 0.54
MCL1 Q07820 2/20 0.54
MAPK1 P28482 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
HPGD P15428 1/20 0.54
HDAC1 Q13547 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
TSHR P16473 3/20 0.47
HSD17B10 Q99714 2/20 0.47
HDAC11 Q96DB2 1/20 0.47
LMNA P02545 3/20 0.44
CYP3A4 P08684 2/20 0.44
PTGES O14684 1/20 0.44
ESR1 P03372 4/20 0.42

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
Malonic Acid Diethyl Ester SCHEMBL9840328 0.86 ALDH1A1 (0.48) ALDH1A1MAPTKDM4ERAB9AMAPK1
SCHEMBL9839509 0.82 ALDH1A1 (0.47) ALDH1A1MAPTKDM4ERAB9AMAPK1
SCHEMBL357704 0.77 LMNA (0.68) ALDH1A1MAPTKDM4ERAB9AMCL1
SCHEMBL9840309 0.77 ALDH1A1 (0.45) ALDH1A1MAPTKDM4ERAB9AMCL1
SCHEMBL4897408 0.76 ALDH1A1 (0.52) ALDH1A1MAPTKDM4ERAB9AMAPK1
SCHEMBL9750091 0.75 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ERAB9AMAPK1
SCHEMBL12018342 0.75 ALDH1A1 (0.58) ALDH1A1MAPTKDM4ERAB9AMCL1
SCHEMBL9750077 0.73 MAPT (0.53) ALDH1A1MAPTKDM4ERAB9ASMN1; SMN2
Padimate A SCHEMBL15372 0.73 ALDH1A1 (0.65) ALDH1A1MAPTKDM4ERAB9AMCL1
SCHEMBL7536250 0.72 ALDH1A1 (0.68) ALDH1A1MAPTKDM4ERAB9AMCL1

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