SCHEMBL9640504

SCHEMBL9640504

O=C(CO)COc1ccc(OCC(=O)CO)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 7/20 0.50
ALOX15 P16050 1/20 0.48
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
FFAR1 O14842 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PLA2G4A P47712 1/20 0.43

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
SCHEMBL8701735 0.89 ALOX15 (0.65) PLA2G4BALOX15ALDH1A1SMN1; SMN2FFAR1
SCHEMBL19472849 0.78 PTGS2 (0.48) SMN1; SMN2MEN1KMT2A
SCHEMBL11425674 0.76 MAPT (0.61) PLA2G4BALDH1A1MEN1KMT2A
SCHEMBL11440981 0.76 MAPT (0.60) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL17676526 0.76 TDP1 (0.52) PLA2G4BALOX15ALDH1A1SMN1; SMN2PLA2G4A
SCHEMBL3898377 0.75 ALOX15 (0.74) PLA2G4BALOX15ALDH1A1SMN1; SMN2FFAR1
SCHEMBL9912233 0.75 KMT2A (0.59) ALDH1A1MEN1KMT2A
SCHEMBL21173015 0.74 MAPT (0.59) PLA2G4BALDH1A1MEN1KMT2A
SCHEMBL339492 0.74 ALOX15 (0.81) ALOX15ALDH1A1SMN1; SMN2FFAR1MEN1
SCHEMBL15741223 0.73 MEN1 (0.49) PLA2G4BALOX15MEN1KMT2A

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-5094814-A Dihydroxyacetone, hydroquinone, volatile amine NALCO CHEMICAL COMPANY (US) 1992-03-10 US disclosed