SCHEMBL19426316

SCHEMBL19426316

CC(=O)NCCC[C@H](O)CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.53
ADRA1A P35348 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPK1 P28482 1/20 0.50
HIF1A Q16665 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.44
FOLH1 Q04609 1/20 0.44
PAOX Q6QHF9 3/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
MAPT P10636 1/20 0.39
GABRR1 P24046 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.38
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37

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
SCHEMBL13747869 0.80 GPR84 (0.57) GPR84SLC22A6MAPTGABRR1LMNA
SCHEMBL16806325 0.80 KDM4E (0.54) ADRA1AKDM4EMAPK1HIF1AFOLH1
SCHEMBL6673903 0.79 ADRA1A (0.48) ADRA1AKDM4EMAPK1HIF1AFOLH1
SCHEMBL14124849 0.79 ADRA1A (0.48) ADRA1AKDM4EMAPK1HIF1AFOLH1
SCHEMBL31295287 0.79 ADRA1A (0.48) ADRA1AKDM4EMAPK1HIF1AFOLH1
SCHEMBL18541590 0.78 KDM4E (0.52) ADRA1AKDM4EMAPK1HIF1AFOLH1
SCHEMBL11498764 0.77 ADRA1A (0.46) ADRA1AKDM4EMAPK1HIF1AFOLH1
SCHEMBL28922166 0.76 GPR84 (0.67) GPR84SLC22A6FOLH1MAPTGABRR1
SCHEMBL966415 0.76 GPR84 (0.74) GPR84SLC22A6MAPTGABRR1LMNA
SCHEMBL11664580 0.76 KDM4E (0.54) GPR84ADRA1AKDM4EMAPK1HIF1A

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-2017172930-A1 PBD CONJUGATES FOR TREATING DISEASES ENDOCYTE, INC. (US) 2017-10-05 WO disclosed