SCHEMBL6036796

SCHEMBL6036796

Cc1ccc2oc(OC(=O)O)cc(=O)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
MAPT P10636 3/20 0.52
ALDH1A1 P00352 3/20 0.52
TP53 P04637 2/20 0.52
CYP3A4 P08684 2/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
POLB P06746 3/20 0.51
CSNK2A2 P19784 2/20 0.50
CSNK2B P67870 2/20 0.50
CSNK2A1 P68400 2/20 0.50
HTT P42858 1/20 0.50
THRB P10828 1/20 0.48
KCNA5 P22460 1/20 0.48
KCNH2 Q12809 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL5220493 0.82 GABRP (0.52) MAPTTP53CYP3A4CSNK2A2CSNK2B
SCHEMBL2318178 0.82 TNKS (0.52) MAPTALDH1A1CYP3A4
SCHEMBL2720196 0.81 KDM4E (0.50) KDM4EMAPTALDH1A1TP53CYP3A4
SCHEMBL7806804 0.81 KCNA5 (0.60) KDM4EMAPTALDH1A1TP53CYP3A4
SCHEMBL1864108 0.80 KDM4E (0.58) KDM4EMAPTALDH1A1TP53CYP3A4
SCHEMBL379054 0.76 ALDH1A1 (0.67) KDM4EMAPTALDH1A1TP53CYP3A4
SCHEMBL11077944 0.75 KDM4E (0.52) KDM4EMAPTALDH1A1CYP3A4HPGD
SCHEMBL7455688 0.74 AKR1B1 (0.60) KDM4EALDH1A1TP53CYP3A4HPGD
SCHEMBL8773390 0.74 CSNK2A2 (0.62) KDM4EMAPTALDH1A1TP53CYP3A4
SCHEMBL1865302 0.74 KDM4E (0.66) KDM4EMAPTALDH1A1TP53CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1185869-B1 LIGAND-ANCHOR CONJUGATES FOR PRODUCING A BIOSENSOR LAYER GRAFFINITY PHARMACEUTICALS AG (DE) 2006-07-26 EP disclosed
EP-1185869-A2 LIGAND-ANCHOR CONJUGATES FOR PRODUCING A BIOSENSOR LAYER Graffinity Pharmaceutical Design GmbH (DE) 2002-03-13 EP disclosed
WO-2000073796-A2 LIGAND-ANCHOR CONJUGATES FOR PRODUCING A BIOSENSOR LAYER GRAFFINITY PHARMACEUTICAL DESIGN GMBH (DE) 2000-12-07 WO disclosed