SCHEMBL13675815

SCHEMBL13675815

Cc1ccc(OCC(O)Cn2cc(C(=O)OC(C)(C)C)c3ccccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.56
MAPT P10636 6/20 0.56
NPSR1 Q6W5P4 2/20 0.56
KMT2A Q03164 2/20 0.56
RECQL P46063 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
THRB P10828 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 3/20 0.44
MAPK1 P28482 1/20 0.44
USP2 O75604 1/20 0.44
PLK1 P53350 2/20 0.43

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
SCHEMBL13675811 0.86 LMNA (0.51) LMNAMAPTNPSR1KMT2ARECQL
SCHEMBL3924250 0.85 CNR2 (0.46)
SCHEMBL13675803 0.81 LMNA (0.56) LMNAMAPTNPSR1KMT2AKDM4E
SCHEMBL13676281 0.78 USP2 (0.48) LMNAMAPTNPSR1KMT2ARECQL
SCHEMBL13676256 0.76 LMNA (0.56) LMNAMAPTNPSR1KMT2ARECQL
SCHEMBL13676283 0.73 USP2 (0.51) LMNAMAPTNPSR1KMT2ARECQL
SCHEMBL8693115 0.73 ALDH1A1 (0.69) LMNAMAPTKMT2AKDM4EPOLB
SCHEMBL10650984 0.72 KMT2A (0.48) LMNAMAPTKMT2ARECQLPOLB
SCHEMBL17995258 0.71 NR4A2 (0.69) LMNAMAPTNPSR1KMT2AMEN1
SCHEMBL12479405 0.67 LMNA (0.68) LMNAMAPTNPSR1KMT2AKDM4E

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