SCHEMBL17524656

SCHEMBL17524656

CCN(CC)CCCCC[C@@H](C)[C@@H](O)CC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.36
NPSR1 Q6W5P4 2/20 0.34
PLA2G1B P04054 1/20 0.34
PLA2G2A P14555 1/20 0.34
PAOX Q6QHF9 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
TRPA1 O75762 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KDM5A P29375 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
GPR84 Q9NQS5 4/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.30

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
SCHEMBL17518313 0.87 TSHR (0.31) NPSR1CHRM2CHRM4CHRM1CHRM3
SCHEMBL17524660 0.82 ALDH1A1 (0.33) TRPV1TRPA1ALDH1A1MAPTKDM5A
SCHEMBL1709990 0.78 CA2 (0.44) SPHK1GPR84
SCHEMBL17518370 0.76 TRPV1 (0.34) SPHK1TRPV1TRPA1ALDH1A1MAPT
SCHEMBL29171486 0.75 SIGMAR1 (0.47) SIGMAR1PLA2G1BPLA2G2APAOXL3MBTL1
SCHEMBL17518381 0.75 LMNA (0.48) ALDH1A1LMNA
SCHEMBL19634478 0.72 KDM4E (0.50) PAOXTRPV1TRPA1ALDH1A1
SCHEMBL4312640 0.72 PAOX (0.52) NPSR1PAOXALDH1A1KDM5AKDM4C
SCHEMBL29565670 0.72 PAOX (0.52) NPSR1PAOXALDH1A1KDM5AKDM4C
SCHEMBL29564926 0.72 PAOX (0.52) NPSR1PAOXALDH1A1KDM5AKDM4C

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-9266927-B2 Cyclosporin A analogs ALLERGAN, INC. (US) 2016-02-23 US disclosed