SCHEMBL18914697

SCHEMBL18914697

COC(=O)c1ccc(Oc2cccc(Oc3cc4c(cc3Oc3cccc(Oc5ccc(C(=O)OC)cc5)c3C#N)C3(CC(C)(C)c5cc(Oc6cccc(Oc7ccc(C(=O)C=O)cc7)c6C#N)c(Oc6cccc(Oc7ccc(C(=O)OC)cc7)c6C#N)cc53)CC4(C)C)c2C#N)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 3/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 3/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
CYP3A4 P08684 4/20 0.34
RXRA P19793 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
BLM P54132 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
KMT2A Q03164 3/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 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
SCHEMBL18914706 0.93 EZH2 (0.40) EZH2NPC1RAB9ALMNAMAPT
SCHEMBL18914696 0.83 RXRA (0.40) EZH2NPC1RAB9AMAPTHTT
SCHEMBL18907156 0.81 CYP3A4 (0.34) EZH2NPC1RAB9ALMNAMAPT
SCHEMBL18914481 0.80 TTR (0.34) EZH2LMNAMAPTRXRASMN1; SMN2
SCHEMBL18914477 0.80 EZH2 (0.35) EZH2MAPTRXRAPOLB
SCHEMBL25311656 0.78 CA1 (0.50) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL20091515 0.77 EZH2 (0.39) EZH2NPC1RAB9ALMNAMAPT
SCHEMBL18914613 0.76 POLB (0.33) EZH2MAPTPOLB
SCHEMBL17430346 0.76 GAA (0.37) NPC1RAB9ALMNAMAPTHTT
SCHEMBL18914482 0.76 POLB (0.33) EZH2MAPTRXRAPOLBHPGD

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
US-20170154782-A1 COMPOSITION FOR FILM FORMATION, FILM, PRODUCTION METHOD OF PATTERNED SUBSTRATE, AND COMPOUND JSR CORPORATION (JP) 2017-06-01 US disclosed