SCHEMBL30211643

SCHEMBL30211643

NC(=O)c1ccc(C(N)=O)c(O)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.54
MAPT P10636 3/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 2/20 0.52
TSHR P16473 2/20 0.52
HSD17B10 Q99714 2/20 0.52
HPGD P15428 1/20 0.52
SELL P14151 1/20 0.46
SELP P16109 1/20 0.46
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.43
DGAT1 O75907 1/20 0.43
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
METAP2 P50579 1/20 0.42
BCAT2 O15382 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
PARP1 P09874 1/20 0.39

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
SCHEMBL3424158 1.00 ERN1 (0.54) ERN1MAPTALDH1A1KDM4ETSHR
SCHEMBL11054445 0.89 SELL (0.62) ERN1MAPTALDH1A1KDM4ETSHR
SCHEMBL924425 0.89 SELL (0.62) ERN1MAPTALDH1A1KDM4ETSHR
SCHEMBL5515911 0.85 ERN1 (0.44) ERN1MAPTALDH1A1KDM4ETSHR
SCHEMBL17836871 0.84 ERN1 (0.47) ERN1MAPTALDH1A1KDM4ETSHR
SCHEMBL698742 0.82 KDM4E (0.61) ERN1MAPTALDH1A1KDM4ETSHR
SCHEMBL29552052 0.82 KDM4E (0.67) ERN1MAPTALDH1A1KDM4ETSHR
SCHEMBL926767 0.82 ERN1 (0.46) ERN1MAPTALDH1A1KDM4ETSHR
SCHEMBL424097 0.82 KDM4E (0.67) ERN1MAPTALDH1A1KDM4ETSHR
SCHEMBL27733222 0.82 ERN1 (0.42) ERN1MAPTALDH1A1KDM4ETSHR

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-3864119-B1 LIQUID COMPOSITION WITH DIHYDROXYTEREPHTHALIC ACID DIAMIDE COMPOUND WITH A HIGH SURFACTANT QUANTITY HENKEL AG & CO KGAA (DE) 2023-03-01 EP disclosed