SCHEMBL581710

SCHEMBL581710

COC(=O)Oc1c(O)c(O)cc2oc3cc(C)oc(=O)c3c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
PTGS1 P23219 4/20 0.43
PTGS2 P35354 4/20 0.43
GAA P10253 2/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
KLK7 P49862 1/20 0.38
KLK5 Q9Y337 1/20 0.38
HSD17B10 Q99714 4/20 0.38
ANTXR2 P58335 1/20 0.38
CYP3A4 P08684 2/20 0.37
PKM P14618 2/20 0.37
HPGD P15428 2/20 0.37
ALOX12 P18054 2/20 0.37
RECQL P46063 2/20 0.37
BLM P54132 2/20 0.37

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
SCHEMBL10181747 0.85 MGAM (0.57) KDM4EMEN1MAPTKMT2APTGS1
SCHEMBL580508 0.80 KDM4E (0.47) KDM4EMEN1MAPTKMT2APTGS1
SCHEMBL10181447 0.77 PTGS1 (0.65) KDM4EMEN1MAPTKMT2APTGS1
SCHEMBL10135383 0.77 KDM4E (0.52) KDM4EMEN1MAPTKMT2APTGS1
SCHEMBL10135392 0.76 KDM4E (0.46) KDM4EMEN1MAPTKMT2APTGS1
SCHEMBL10182556 0.76 NUAK1 (0.56) KDM4EMEN1MAPTKMT2APTGS1
SCHEMBL580570 0.74 PTGS1 (0.51) KDM4EMEN1MAPTKMT2APTGS1
SCHEMBL10135385 0.73 MAOA (0.54) KDM4EMEN1MAPTKMT2APTGS1
SCHEMBL10181886 0.71 PTGS1 (0.49) KDM4EMEN1MAPTKMT2APTGS1
SCHEMBL10135387 0.71 KDM4E (0.50) KDM4EMEN1MAPTKMT2APTGS1

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-2121141-B1 COUMESTAN-LIKE ANTIOXIDANTS AND UV ABSORBANTS BASF SE (DE) 2012-02-15 EP claimed