SCHEMBL14495451

SCHEMBL14495451

CCN(CCO)C1=CCCC=C1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.35
HTT P42858 1/20 0.35
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL13463912 0.85
SCHEMBL24620292 0.82 CYP3A4 (0.31) MAPK1
SCHEMBL23191050 0.80
SCHEMBL20031932 0.77
SCHEMBL22422801 0.69
SCHEMBL10613043 0.69 SLC29A1 (0.31) SLC29A1
SCHEMBL20459829 0.69 ALDH1A1 (0.32) SLC29A1
SCHEMBL8294254 0.69 CYP1A2 (0.36) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL24833754 0.68 MAPT (0.30)
Hydrochloric Acid SCHEMBL6015213 0.67

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
WO-2007071552-A2 CONTRAST DYES FOR INKJET LITHOGRAPHIC PRINTING PLATES AGFA GRAPHICS NV (BE) 2007-06-28 WO disclosed