SCHEMBL14966748

SCHEMBL14966748

COC(=O)c1ccc(CCCCOc2cccc(C)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
CYP4A11 Q02928 3/20 0.56
CYP4F2 P78329 2/20 0.56
HPGD P15428 2/20 0.54
POLB P06746 1/20 0.53
MAPT P10636 2/20 0.52
RAB9A P51151 1/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MDH1 P40925 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.47

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
SCHEMBL14966389 0.92 TDP1 (0.60) TDP1L3MBTL1CYP4A11HPGDPOLB
SCHEMBL14966689 0.87 HPGD (0.56) TDP1L3MBTL1HPGDPOLBKDM4E
SCHEMBL6119786 0.84 RAB9A (0.59) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL14966681 0.81 MAPT (0.74) TDP1L3MBTL1CYP4A11CYP4F2MAPT
SCHEMBL4361268 0.80 MAPT (0.72) TDP1L3MBTL1CYP4A11CYP4F2MAPT
SCHEMBL10337881 0.79 TDP1 (0.81) TDP1L3MBTL1HPGDPOLBMAPT
SCHEMBL4359850 0.79 MAPT (0.70) TDP1L3MBTL1CYP4A11CYP4F2MAPT
SCHEMBL14967541 0.79 TDP1 (0.56) TDP1L3MBTL1HPGDPOLBKDM4E
SCHEMBL4376261 0.79 MAPT (0.70) TDP1L3MBTL1CYP4A11CYP4F2MAPT
SCHEMBL14967130 0.78 MAPT (0.54) CYP4A11CYP4F2MAPTRAB9AKDM4E

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
EP-2780014-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-09-24 EP disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 WO disclosed