SCHEMBL7108391

SCHEMBL7108391

Nc1c(NC(=O)CCCC(=O)O)cnn1CCO

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
GAA P10253 3/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
SHMT2 P34897 1/20 0.37
PTGIR P43119 2/20 0.37
MAPK1 P28482 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2C19 P33261 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
NCOR2 Q9Y618 1/20 0.35

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
SCHEMBL3121390 0.82 ALDH1A1 (0.35) GAATSHRHTTKMT2AALDH1A1
SCHEMBL7109430 0.81 ALDH1A1 (0.53) KDM4ETDP1TSHRHTTKMT2A
SCHEMBL7105915 0.76 GAA (0.43) KDM4ETDP1GAATSHRHTT
SCHEMBL7109805 0.75 TSHR (0.59) KDM4ETDP1GAATSHRHTT
SCHEMBL5495034 0.74 CA1 (0.40) KDM4ETDP1ALDH1A1POLBL3MBTL1
SCHEMBL5500971 0.72 POLB (0.32) KDM4ETDP1HTTALDH1A1POLB
SCHEMBL5492776 0.71 ITGA4 (0.36) KDM4ETDP1HDAC3HDAC1NCOR2
SCHEMBL14223672 0.70 CYP1A2 (0.36) TSHR
SCHEMBL5499545 0.70 CYP1A2 (0.33) ALDH1A1
SCHEMBL6065170 0.70 HTT (0.47) KDM4ETSHRHTTKMT2AALDH1A1

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
EP-1348700-A2 Composition and method for dyeing dye-susceptible material Wella Aktiengesellschaft (DE) 2003-10-01 EP disclosed