SCHEMBL3837232

SCHEMBL3837232

CC(=O)Oc1cc(C=Cc2ccccc2)c(C(C)C)c(OC(C)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.47
TTR P02766 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
AHR P35869 1/20 0.44
TUBB4A P04350 3/20 0.44
TUBB P07437 3/20 0.44
TUBA3C P0DPH7 3/20 0.44
TUBA1B P68363 3/20 0.44
TUBA4A P68366 3/20 0.44
TUBB4B P68371 3/20 0.44
TUBB3 Q13509 3/20 0.44
TUBB2A Q13885 3/20 0.44
TUBB8 Q3ZCM7 3/20 0.44
TUBA3E Q6PEY2 3/20 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
SCHEMBL918688 0.84 AHR (0.55) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL918690 0.84 AHR (0.55) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL20289186 0.77 KDM4E (0.49) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL5960472 0.76 KMT2A (0.51) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL718479 0.76 KMT2A (0.77) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL718478 0.76 KMT2A (0.77) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL4982103 0.74 NFE2L2 (0.61) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL4982109 0.74 NFE2L2 (0.61) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL8927316 0.74 KMT2A (0.42) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL8210257 0.74 KMT2A (0.42) KMT2AKDM4EMAPTMEN1LMNA

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
EP-1248774-B1 POLYHYDROXYSTILBENES AND STILBENE OXIDES AS ANTIPSORIATIC AGENTS AND PROTEIN KINASE INHIBITORS WELICHEM BIOTECH INC (CA) 2009-10-07 EP claimed