SCHEMBL4734902

SCHEMBL4734902

CCOc1ccc(OC(=O)c2cc(O)c(O)c(O)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.63
KMT2A Q03164 2/20 0.55
LMNA P02545 2/20 0.55
SERPINE1 P05121 3/20 0.51
ESR1 P03372 2/20 0.51
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
CCNC P24863 1/20 0.50
CDK8 P49336 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.50
POLB P06746 2/20 0.49
PARP10 Q53GL7 1/20 0.49
GAA P10253 1/20 0.49
NFKB1 P19838 1/20 0.49
XDH P47989 1/20 0.49
GFER P55789 1/20 0.49

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
SCHEMBL13286804 0.86 NSD2 (0.81) NSD2LMNASERPINE1ESR1KDM4E
SCHEMBL4736293 0.85 NSD2 (0.65) NSD2LMNASERPINE1ESR1KDM4E
SCHEMBL9905987 0.83 KMT2A (0.73) KMT2ALMNAMAPTCCNCCDK8
SCHEMBL2455357 0.83 KMT2A (0.73) KMT2ALMNAMAPTCCNCCDK8
SCHEMBL4738042 0.81 NSD2 (0.69) NSD2KMT2ALMNASERPINE1ESR1
SCHEMBL4734191 0.81 NSD2 (0.59) NSD2KMT2ASERPINE1ESR1MAPT
SCHEMBL3006067 0.81 NSD2 (0.73) NSD2LMNASERPINE1ESR1KDM4E
SCHEMBL27250364 0.80 KMT2A (0.66) KMT2ALMNAESR1MAPTCCNC
SCHEMBL10624035 0.80 KMT2A (0.66) KMT2ALMNAESR1MAPTCCNC
SCHEMBL29025421 0.79 ESR1 (0.66) NSD2KMT2ALMNASERPINE1ESR1

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
WO-2008065527-A2 GALLIC ACID ESTERS OF FRAGRANT ALCOHOLS GHISALBERTI CARLO (BR) 2008-06-05 WO disclosed