SCHEMBL28090046

SCHEMBL28090046

NC(=O)CCC(=O)NOC(=O)CCCCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
LMNA P02545 4/20 0.41
NFKB1 P19838 2/20 0.39
PMP22 Q01453 1/20 0.39
CYP2D6 P10635 1/20 0.39
BLM P54132 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
THRB P10828 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
KDM5C P41229 2/20 0.38
PHF8 Q9UPP1 2/20 0.38
KDM2A Q9Y2K7 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
PLG P00747 1/20 0.38
ALOX15 P16050 1/20 0.38
SLC6A2 P23975 1/20 0.38
RECQL P46063 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL27645896 0.92 TSHR (0.36) TSHRLMNAKMT2AALDH1A1MEN1
SCHEMBL27524961 0.90 HDAC3 (0.34) TSHRLMNAKMT2AKDM4EALDH1A1
SCHEMBL9618339 0.89 TSHR (0.48) TSHRLMNANFKB1PMP22CYP2D6
SCHEMBL28172522 0.84 TSHR (0.36) TSHRLMNAKDM4EKDM5CPHF8
SCHEMBL27407392 0.84 SOAT1 (0.46) LMNAKMT2AKDM4EMEN1CYP1A2
SCHEMBL321683 0.82 SOAT1 (0.49) TSHRLMNAKMT2AKDM4EMEN1
SCHEMBL27525570 0.82 SOAT1 (0.49) TSHRLMNAKMT2AKDM4EMEN1
SCHEMBL27352394 0.82 SOAT1 (0.49) TSHRLMNAKMT2AKDM4EMEN1
SCHEMBL28145727 0.82 SOAT1 (0.49) TSHRLMNAKMT2AKDM4EMEN1
SCHEMBL27361734 0.82 SOAT1 (0.49) TSHRLMNAKMT2AKDM4EMEN1

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
CN-105936671-A Preparation method of vinyl collagen 陕西科技大学 2016-09-14 CN disclosed