SCHEMBL9401767

SCHEMBL9401767

COC(=O)C1=C(C)NC(C)=C(C(=O)O)C1c1ccc(OC)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.68
ALDH1A1 P00352 4/20 0.68
HSD17B10 Q99714 4/20 0.68
GAA P10253 3/20 0.68
HPGD P15428 3/20 0.68
LMNA P02545 2/20 0.68
TSHR P16473 3/20 0.62
HTT P42858 2/20 0.60
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
POLB P06746 3/20 0.60
ADORA3 P0DMS8 2/20 0.59
KMT2A Q03164 2/20 0.58
MAPT P10636 2/20 0.58
MEN1 O00255 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
CACNA1F O60840 4/20 0.54
CACNA1D Q01668 4/20 0.54
CACNA1S Q13698 4/20 0.54
CACNA1C Q13936 4/20 0.54

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
SCHEMBL11817128 0.94 KDM4E (0.76) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL27517088 0.93 KDM4E (0.68) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL3218696 0.89 KDM4E (0.68) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL7265410 0.88 TSHR (0.65) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL6951320 0.87 ADORA3 (0.76) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL28735887 0.86 KDM4E (0.55) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL9272854 0.86 CACNA1F (0.69) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL7236402 0.85 ALDH1A1 (0.60) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL7158395 0.84 ADORA3 (0.60) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL7275646 0.84 CACNA1F (0.71) KDM4EALDH1A1GAAHPGDLMNA

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-5286869-A Vasodilators and anticoagulants FUJIREBIO KABUSHIKI KAISHA (JP) 1994-02-15 US disclosed