SCHEMBL7646875

SCHEMBL7646875

O=C(CCCl)OCCCCOc1ccc(C(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.66
TP53 P04637 1/20 0.58
TSHR P16473 1/20 0.58
POLB P06746 1/20 0.57
APEX1 P27695 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
PLA2G4B P0C869 7/20 0.56
PKM P14618 1/20 0.56
RARB P10826 4/20 0.54
ALDH1A1 P00352 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PLA2G4A P47712 1/20 0.51
MAPK1 P28482 1/20 0.50

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
SCHEMBL1667037 0.98 HTT (0.68) HTTTP53TSHRPOLBAPEX1
SCHEMBL2203739 0.97 HTT (0.61) HTTTP53TSHRPOLBAPEX1
SCHEMBL15582454 0.94 RARB (0.63) HTTTP53TSHRPOLBAPEX1
SCHEMBL22507145 0.88 PKM (0.57) HTTTP53TSHRPOLBAPEX1
SCHEMBL7646498 0.88 HTT (0.50) HTTTP53TSHRPOLBAPEX1
SCHEMBL7401721 0.87 TP53 (0.69) HTTTP53TSHRPOLBAPEX1
SCHEMBL4081685 0.86 HTT (0.52) HTTTP53TSHRPOLBAPEX1
SCHEMBL1798003 0.85 TP53 (0.72) HTTTP53TSHRPOLBAPEX1
SCHEMBL177170 0.85 PKM (0.69) HTTTP53TSHRPOLBAPEX1
SCHEMBL3562863 0.84 HTT (0.47) HTTTP53TSHRPOLBAPEX1

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
US-6486338-B1 Preparation of organosilicon compounds containing α, β-unsaturated carboxylic acids CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 2002-11-26 US disclosed