SCHEMBL9244672

SCHEMBL9244672

O=C(O)C=CC(O)(C=CC(=O)O)C(CO)(CO)C(C=CC(=O)O)(C=CC(=O)O)OC=CC(=O)OO.OCC(CO)(CO)CO

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 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
SCHEMBL157683 0.90 ALDH1A1 (0.31) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL4243901 0.86
Phosphoric Acid SCHEMBL2703749 0.85
SCHEMBL15066460 0.84 ALDH1A1 (0.33) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL157690 0.81 ALDH1A1 (0.34) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL3356698 0.81 ALDH1A1 (0.34) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL9863317 0.79 ALDH1A1 (0.31) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL1721573 0.77 ALDH1A1 (0.32) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL1011667 0.76 HCAR2 (0.31)
SCHEMBL9576231 0.75 TSHR (0.31) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2

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-5401541-A Method of producing a protective finish on a substrate THOR RADIATION RESEARCH, INC. (US) 1995-03-28 US disclosed