SCHEMBL13616955

SCHEMBL13616955

Bc1ccc(OCC(=O)O)c(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.54
PKM P14618 1/20 0.49
TDP1 Q9NUW8 3/20 0.47
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 2/20 0.43
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
GLA P06280 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL3044855 0.81 PTGDR2 (0.79) PTGDR2PKMTDP1KDM4ETSHR
SCHEMBL8528987 0.81 PTGDR2 (0.55) PTGDR2PKMTDP1MAPTTSHR
SCHEMBL4138843 0.79 PKM (0.71) PTGDR2PKMTDP1KDM4EHTT
SCHEMBL14066214 0.79 PTGDR2 (0.60) PTGDR2PKMTDP1KDM4ETSHR
SCHEMBL3046012 0.79 PTGDR2 (0.54) PTGDR2PKMTDP1MAPTKDM4E
SCHEMBL4143335 0.79 TDP1 (0.70) PTGDR2TDP1MAPTKDM4ETSHR
SCHEMBL4147094 0.77 KDM4E (0.59) PTGDR2MAPTKDM4EHTTPOLB
SCHEMBL7566116 0.77 PTGDR2 (0.63) PTGDR2PKM
SCHEMBL16168181 0.77 ALDH1A1 (0.53) TDP1MAPTKDM4EHTTPOLB
SCHEMBL14076372 0.76 CYP2C19 (0.68) PTGDR2PKMTDP1HTTL3MBTL1

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
EP-2113258-A1 AURONE DERIVATIVE-CONTAINING COMPOSITION FOR DIAGNOSIS Nagasaki University (JP) 2009-11-04 EP disclosed