SCHEMBL8528668

SCHEMBL8528668

CC(=O)/C=C/C=C/N(C)C.CN(C)/C=C/C=C/C=C/C=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
CYP2C9 P11712 1/20 0.45
DNMT1 P26358 1/20 0.45
CYP2C19 P33261 1/20 0.45
RECQL P46063 1/20 0.45
GAA P10253 2/20 0.42
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
TRPA1 O75762 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
SCHEMBL8528670 1.00 POLB (0.45) POLBMEN1KMT2ATDP1L3MBTL1
SCHEMBL18752199 0.89 POLB (0.48) POLBMEN1KMT2ATDP1L3MBTL1
SCHEMBL17565687 0.84
SCHEMBL8534036 0.82
SCHEMBL8534034 0.82
SCHEMBL18927845 0.82
SCHEMBL8274310 0.74
SCHEMBL3034748 0.74
SCHEMBL3034743 0.74
SCHEMBL951880 0.71

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
EP-0873746-A2 Dyestuff for keratinous fibers Henkel Kommanditgesellschaft auf Aktien (DE) 1998-10-28 EP claimed
EP-0873746-A2 Dyestuff for keratinous fibers Henkel Kommanditgesellschaft auf Aktien (DE) 1998-10-28 EP disclosed