SCHEMBL3823866

SCHEMBL3823866

CCCCCC1=C(C=O)CCCC1C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.31
EPAS1 Q99814 1/20 0.31
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
ADH4 P08319 1/20 0.30

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
SCHEMBL1705899 0.80 SPHK2 (0.32)
SCHEMBL9446255 0.70 SCD (0.38) HIF1AEPAS1
SCHEMBL28084243 0.69 SCD (0.41) HIF1AEPAS1ADH1CADH1AADH4
SCHEMBL28102844 0.69 SCD (0.41) HIF1AEPAS1ADH1CADH1AADH4
SCHEMBL14637658 0.68 KMT2A (0.36)
SCHEMBL3668700 0.67 CA1 (0.41)
SCHEMBL4418524 0.67 CA1 (0.41)
SCHEMBL21858908 0.67
SCHEMBL21858911 0.67
Heptane SCHEMBL7029738 0.66 CA1 (0.61)

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-2097059-A1 CLEANSING OR CARE PRODUCT Henkel Kommanditgesellschaft auf Aktien (DE) 2009-09-09 EP disclosed
WO-2008065072-A1 CLEANSING OR CARE PRODUCT HENKEL AG & CO. KGAA (DE) 2008-06-05 WO disclosed