SCHEMBL13865610

SCHEMBL13865610

C=CC(=O)OCC(COc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCC(COC(=O)C=C)OC(=O)C=C)cc3)c(C)c2)cc1)OC(=O)C=C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.36
KMT2A Q03164 5/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
GAA P10253 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL13865609 0.91 MAPT (0.39) PPARDKMT2AMAPTLMNAL3MBTL1
SCHEMBL20089572 0.90 MAPT (0.36) PPARDKMT2AMAPTLMNA
SCHEMBL13865616 0.89 MAPT (0.36) PPARDKMT2AMAPTLMNAGAA
SCHEMBL18904664 0.88 NPC1 (0.35) PPARDKMT2AMAPTLMNA
SCHEMBL13806721 0.88 MAPT (0.43) KMT2AMAPTPOLBMAPK1LMNA
SCHEMBL13865576 0.87 NPC1 (0.42) KMT2AMAPTPOLBLMNA
SCHEMBL13865602 0.87 KMT2A (0.40) KMT2AMAPTPOLBLMNAADRB2
SCHEMBL13865600 0.87 KMT2A (0.40) KMT2AMAPTPOLBLMNAADRB2
SCHEMBL17935775 0.86 PLA2G4B (0.37) PPARDKMT2AMAPTPOLBMAPK1
SCHEMBL19624192 0.85 KMT2A (0.48) KMT2AMAPTPOLBLMNAGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7527746-B2 Liquid crystal polyfunctional acrylate derivative and polymer thereof CHISSO CORPORATION (JP) 2009-05-05 US disclosed
US-7527746-B2 Liquid crystal polyfunctional acrylate derivative and polymer thereof CHISSO CORPORATION (JP) 2009-05-05 US disclosed