SCHEMBL27596131

SCHEMBL27596131

COc1c(C)c(Cc2cccc(Oc3ccccc3C(=O)O)c2)c(OC)c(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.45
APEX1 P27695 1/20 0.45
CCR8 P51685 1/20 0.45
LPAR1 Q92633 4/20 0.44
PDE10A Q9Y233 1/20 0.43
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LPAR3 Q9UBY5 1/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
LPAR5 Q9H1C0 1/20 0.41
P2RX3 P56373 1/20 0.40
BRS3 P32247 1/20 0.40

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
SCHEMBL27581050 0.90 PDE10A (0.41) KDM4EHTTAPEX1CCR8PDE10A
SCHEMBL6098146 0.86 KDM4E (0.48) KDM4EPOLBHTTAPEX1LPAR1
SCHEMBL6095164 0.86 KDM4E (0.60) KDM4EPOLBAPEX1LPAR1LPAR5
SCHEMBL27579891 0.84 PTGER1 (0.50) HTTAPEX1MEN1KMT2APTGER1
SCHEMBL6097784 0.80 HPGD (0.41) KDM4EPOLBRAB9AMEN1KMT2A
SCHEMBL5859872 0.79 MCL1 (0.53) KDM4EHTTPTGER1
SCHEMBL6095093 0.78 KDM4E (0.47) KDM4EPOLBRAB9AMEN1KMT2A
SCHEMBL27578074 0.78 PTGER1 (0.50) APEX1PTGER1
SCHEMBL28746733 0.77 LMNA (0.48) HTTRAB9A
SCHEMBL5731416 0.77 MRGPRX4 (0.50) RAB9A

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
CN-1460097-A NF-kB inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI SUNTORY SEIYAKU CO LTD (JP) 2003-12-03 CN disclosed