SCHEMBL4787301

SCHEMBL4787301

CCOC(=O)/C=C(/C)c1ccc(Oc2cccc3c(Oc4ccc(/C(C)=C/C(=O)OCC)cc4)cccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.47
PLG P00747 1/20 0.47
PRSS1 P07477 1/20 0.47
MAPT P10636 5/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
GALK1 P51570 1/20 0.39
CCR6 P51684 1/20 0.39
BLM P54132 1/20 0.39
MCL1 Q07820 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
THRB P10828 1/20 0.39
MEN1 O00255 2/20 0.39

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
SCHEMBL4787305 1.00 F2 (0.47) F2PLGPRSS1MAPTKMT2A
SCHEMBL4740534 1.00 F2 (0.47) F2PLGPRSS1MAPTKMT2A
SCHEMBL4379511 0.91 KDM4E (0.45) F2PLGPRSS1MAPTKDM4E
SCHEMBL4799775 0.86 F2 (0.52) F2PLGPRSS1MAPTKMT2A
SCHEMBL4741524 0.86 F2 (0.52) F2PLGPRSS1MAPTKMT2A
SCHEMBL4744535 0.82 F2 (0.50) F2PLGPRSS1MAPTKMT2A
SCHEMBL11543080 0.80 F2 (0.47) F2PLGPRSS1MAPTKMT2A
SCHEMBL4786981 0.80 F2 (0.51) F2PLGPRSS1MAPTRAB9A
SCHEMBL4786977 0.80 F2 (0.51) F2PLGPRSS1MAPTRAB9A
SCHEMBL2207899 0.79 HDAC3 (0.50) F2PLGPRSS1MAPTKMT2A

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-2008099415-A1 NOVEL SUBSTITUTED BIS-1, 2, 4-TRIOXANES AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2008-08-21 WO disclosed