SCHEMBL13675811

SCHEMBL13675811

CC(=O)OC(COc1ccc(C)cc1)Cn1cc(C(=O)OC(C)(C)C)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
MAPT P10636 4/20 0.48
POLB P06746 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 2/20 0.46
THRB P10828 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RXFP1 Q9HBX9 2/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL13675815 0.86 LMNA (0.56) LMNAMAPTPOLBKMT2AKDM4E
SCHEMBL13676280 0.79 MAPT (0.45) LMNAMAPTPOLBKMT2AKDM4E
SCHEMBL13675803 0.78 LMNA (0.56) LMNAMAPTKMT2AKDM4ETHRB
SCHEMBL13676258 0.77 POLB (0.44) LMNAMAPTPOLBKMT2AKDM4E
SCHEMBL13676285 0.75 AR (0.42) LMNAMAPTPOLBKMT2AKDM4E
SCHEMBL3924250 0.73 CNR2 (0.46)
SCHEMBL8693115 0.70 ALDH1A1 (0.69) LMNAMAPTPOLBKMT2AKDM4E
SCHEMBL17995258 0.68 NR4A2 (0.69) LMNAMAPTPOLBKMT2ASMN1; SMN2
SCHEMBL19483271 0.66 AR (0.50) LMNAMAPTPOLBKMT2ATHRB
SCHEMBL13676256 0.65 LMNA (0.56) LMNAMAPTPOLBKMT2AKDM4E

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-7608633-B2 Heteroaryl-substituted acetone derivatives as inhibitors of phospholipase A2 MERCKLE GMBH (DE) 2009-10-27 US disclosed