SCHEMBL28047828

SCHEMBL28047828

COc1cc(OC)c(CN[C@@H](CCSC)C(=O)O)c(OC)c1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
LMNA P02545 1/20 0.47
ATM Q13315 1/20 0.47
PTPN1 P18031 1/20 0.45
CD274 Q9NZQ7 7/20 0.44
PDCD1 Q15116 4/20 0.44
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
KEAP1 Q14145 1/20 0.41
HPGD P15428 1/20 0.40
KDR P35968 1/20 0.39

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
SCHEMBL28047832 1.00 MAPK1 (0.56) MAPK1LMNAATMPTPN1CD274
SCHEMBL28047676 0.84 PTPN1 (0.47) MAPK1PTPN1CD274PDCD1KEAP1
SCHEMBL28047675 0.84 PTPN1 (0.47) MAPK1PTPN1CD274PDCD1KEAP1
SCHEMBL28047785 0.82 CD274 (0.55) PTPN1CD274PDCD1
SCHEMBL28047787 0.82 CD274 (0.55) PTPN1CD274PDCD1
SCHEMBL28047753 0.82 PTPN1 (0.45) PTPN1CD274PDCD1
SCHEMBL28047760 0.82 PTPN1 (0.45) PTPN1CD274PDCD1
SCHEMBL28047709 0.81 PTPN1 (0.49) MAPK1PTPN1CD274PDCD1
SCHEMBL28047695 0.81 PTPN1 (0.49) MAPK1PTPN1CD274PDCD1
SCHEMBL28047698 0.81 PTPN1 (0.49) MAPK1PTPN1CD274PDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105189446-A Phloroglucinol derivatives and application thereof in treatment of neurodegenerative disorder INST MATERIA MEDICA CAMS 2015-12-23 CN claimed
CN-105189446-A Phloroglucinol derivatives and application thereof in treatment of neurodegenerative disorder INST MATERIA MEDICA CAMS 2015-12-23 CN disclosed