SCHEMBL4744535

SCHEMBL4744535

CCOC(=O)C=C(C)c1ccc(Oc2cccc(C(C)=CC(=O)OCC)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.50
PLG P00747 1/20 0.50
PRSS1 P07477 1/20 0.50
PARP10 Q53GL7 2/20 0.48
TNKS O95271 1/20 0.48
PARP15 Q460N3 1/20 0.48
PARP14 Q460N5 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48
PARP2 Q9UGN5 1/20 0.48
TLR4 O00206 1/20 0.47
TLR2 O60603 1/20 0.47
MAPT P10636 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
POLB P06746 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44

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
SCHEMBL11174492 0.91 NPSR1 (0.48) F2PLGPRSS1PARP10TNKS
SCHEMBL4741524 0.89 F2 (0.52) F2PLGPRSS1PARP10PARP15
SCHEMBL4799775 0.89 F2 (0.52) F2PLGPRSS1PARP10PARP15
SCHEMBL4786977 0.85 F2 (0.51) F2PLGPRSS1MAPTNPC1
SCHEMBL4786981 0.85 F2 (0.51) F2PLGPRSS1MAPTNPC1
SCHEMBL11486614 0.85 CES2 (0.53) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL11486610 0.85 CES2 (0.53) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL4783880 0.84 F2 (0.42) F2PLGPRSS1PARP10MAPT
SCHEMBL4740534 0.82 F2 (0.47) F2PLGPRSS1MAPTMEN1
SCHEMBL4787305 0.82 F2 (0.47) F2PLGPRSS1MAPTMEN1

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