SCHEMBL5717583

SCHEMBL5717583

Cc1nccc(O)c1OCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
CD69 Q07108 3/20 0.42
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
ALOX15 P16050 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
HIF1A Q16665 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NR4A1 P22736 1/20 0.38
APEX1 P27695 1/20 0.38
MCL1 Q07820 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
PTPN1 P18031 1/20 0.38

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
SCHEMBL5717592 0.85 CASP1 (0.37) KMT2AKDM4EHTTPOLBALDH1A1
SCHEMBL2058988 0.84 KMT2A (0.44) KMT2ACD69KDM4EPKMHTT
SCHEMBL2059331 0.76 KMT2A (0.46) KMT2ACD69KDM4EPKMHTT
SCHEMBL4149747 0.75 LMNA (0.48) KDM4EHTTHIF1ASMN1; SMN2POLB
SCHEMBL31518061 0.74 MAOA (0.48) KDM4EHIF1ASMN1; SMN2ALDH1A1
SCHEMBL9965997 0.70 L3MBTL1 (0.56) KDM4EALOX15PTGDR2SMN1; SMN2POLB
SCHEMBL14750655 0.70 CD69 (0.46) KMT2ACD69HTTALOX15SMN1; SMN2
SCHEMBL7390249 0.70 SCN5A (0.54) KMT2ACD69HTTALOX15SMN1; SMN2
SCHEMBL5717644 0.70 ALOX15 (0.41) KMT2ACD69KDM4EPKMHTT
SCHEMBL3185529 0.69 MAOA (0.37)

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-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed