SCHEMBL4786977

SCHEMBL4786977

CCOC(=O)/C=C(/C)c1ccc(Oc2ccc3ccc(Oc4ccc(/C(C)=C/C(=O)OCC)cc4)cc3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.51
PLG P00747 1/20 0.51
PRSS1 P07477 1/20 0.51
PTGS2 P35354 4/20 0.42
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
TSHR P16473 1/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
TTR P02766 1/20 0.36
DPP4 P27487 1/20 0.36
NPC1 O15118 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36

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
SCHEMBL4786981 1.00 F2 (0.51) F2PLGPRSS1PTGS2MAPT
SCHEMBL4540567 0.91 F2 (0.45) F2PLGPRSS1MAPTHPGD
SCHEMBL4540564 0.91 F2 (0.45) F2PLGPRSS1MAPTHPGD
SCHEMBL4741524 0.90 F2 (0.52) F2PLGPRSS1MAPTHPGD
SCHEMBL4799775 0.90 F2 (0.52) F2PLGPRSS1MAPTHPGD
SCHEMBL4744535 0.85 F2 (0.50) F2PLGPRSS1PTGS2MAPT
SCHEMBL11159505 0.82 KDM4E (0.53) F2PLGPRSS1MAPTHPGD
SCHEMBL11156770 0.82 KDM4E (0.53) F2PLGPRSS1MAPTHPGD
SCHEMBL2203941 0.82 TERT (0.49) F2PLGPRSS1MAPTHPGD
SCHEMBL2203937 0.82 TERT (0.49) F2PLGPRSS1MAPTHPGD

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