SCHEMBL10044347

SCHEMBL10044347

NC(=O)CCC(=O)N(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX5 P09917 2/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LTA4H P09960 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL10044311 0.87 TDP1 (0.44) NPC1RAB9ATDP1MEN1KMT2A
SCHEMBL13306004 0.81 POLB (0.36) NPC1RAB9AKMT2APOLBOPRM1
SCHEMBL13310715 0.80 TDP1 (0.34) NPC1RAB9ATDP1MEN1KMT2A
SCHEMBL9858681 0.79 KDM4E (0.43) TDP1KDM4EKMT2APOLBLMNA
SCHEMBL13306017 0.79 KDM4E (0.38) NPC1RAB9AKDM4ETP53SMN1; SMN2
SCHEMBL12337516 0.78 MEN1 (0.36) NPC1RAB9ATDP1KDM4EMEN1
Ethane SCHEMBL28508951 0.76 KDM4E (0.41) TDP1KDM4EKMT2APOLBLMNA
SCHEMBL7765070 0.76 TDP1 (0.62) NPC1RAB9ATDP1MEN1KMT2A
Carbon Monoxide SCHEMBL10727342 0.75 KDM4E (0.40) TDP1KDM4EKMT2APOLBLMNA
Cyclohexane SCHEMBL28510424 0.75 KDM4E (0.40) TDP1KDM4EMEN1KMT2APOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2064348-B1 RECEPTOR FAMILY PROFILING ENSEMBLE THERAPEUTICS CORP (US) 2012-02-08 EP disclosed
US-20100159455-A1 RECEPTOR FAMILY PROFILING ENSEMBLE DISCOVERY 2010-06-24 US disclosed
WO-2008036273-A2 RECEPTOR FAMILY PROFILING ENSEMBLE DISCOVERY CORPORATION (US) 2008-03-27 WO disclosed