SCHEMBL4877636

SCHEMBL4877636

CN(C)CCCC(=O)ONC=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.40
KDM4A O75164 12/20 0.39
KDM4C Q9H3R0 12/20 0.39
DNM1 Q05193 2/20 0.39
KDM5A P29375 1/20 0.39
KDM7A Q6ZMT4 1/20 0.39
PHF8 Q9UPP1 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRM3 P20309 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL28165411 0.82 TSHR (0.46) TSHRMEN1KMT2A
SCHEMBL10699569 0.80 LMNA (0.41) TSHRKMT2A
SCHEMBL11599334 0.79 CNR2 (0.42) TSHR
SCHEMBL991447 0.77 CNR2 (0.49) DNM1TSHR
SCHEMBL28428571 0.76 TSHR (0.36) TSHR
SCHEMBL713902 0.76 TSHR (0.64) PAOXKDM4AKDM4CDNM1KDM5A
SCHEMBL28360017 0.76 DGKA (0.52) TSHRMEN1KMT2A
SCHEMBL27700699 0.76 DGKA (0.52) TSHRMEN1KMT2A
SCHEMBL29199661 0.76 DGKA (0.52) TSHRMEN1KMT2A
SCHEMBL29169676 0.76 DGKA (0.52) TSHRMEN1KMT2A

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
WO-2004078116-A9 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2008-09-12 WO disclosed