SCHEMBL4783880

SCHEMBL4783880

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
PRSS1 P07477 1/20 0.42
GLO1 Q04760 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 6/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 3/20 0.38
THRB P10828 1/20 0.38
ALOX5 P09917 2/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
ALOX5AP P20292 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
ATM Q13315 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HPGD P15428 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
SCHEMBL11172536 0.85 MEN1 (0.54) GLO1MEN1KMT2AMAPTLMNA
SCHEMBL21470279 0.85 MEN1 (0.54) GLO1MEN1KMT2AMAPTLMNA
SCHEMBL11174483 0.84 MAPT (0.53) GLO1MEN1KMT2AMAPTLMNA
SCHEMBL11174486 0.84 MAPT (0.53) GLO1MEN1KMT2AMAPTLMNA
SCHEMBL4744535 0.84 F2 (0.50) F2PLGPRSS1MEN1KMT2A
SCHEMBL4799775 0.81 F2 (0.52) F2PLGPRSS1MEN1KMT2A
SCHEMBL4741524 0.81 F2 (0.52) F2PLGPRSS1MEN1KMT2A
SCHEMBL11174492 0.78 NPSR1 (0.48) F2PLGPRSS1MEN1KMT2A
SCHEMBL4786977 0.78 F2 (0.51) F2PLGPRSS1MAPTLMNA
SCHEMBL4786981 0.78 F2 (0.51) F2PLGPRSS1MAPTLMNA

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