SCHEMBL28047718

SCHEMBL28047718

COc1cc(OC)c(CN[C@@H](Cc2ccccc2)C(=O)O)c(OC)c1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.61
ALDH1A1 P00352 2/20 0.55
ALOX15 P16050 1/20 0.55
GAA P10253 1/20 0.52
FPR2 P25090 2/20 0.51
ITGA4 P13612 1/20 0.50
ITGB7 P26010 1/20 0.50
KMT2A Q03164 1/20 0.48
CD274 Q9NZQ7 4/20 0.47
PDCD1 Q15116 2/20 0.47
CAPN1 P07384 1/20 0.47

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
SCHEMBL28047720 1.00 PTPN1 (0.61) PTPN1ALDH1A1ALOX15GAAFPR2
SCHEMBL28047694 0.91 PTPN1 (0.60) PTPN1ALDH1A1ALOX15ITGA4ITGB7
SCHEMBL28047692 0.91 PTPN1 (0.60) PTPN1ALDH1A1ALOX15ITGA4ITGB7
SCHEMBL28047681 0.90 PTPN1 (0.49) PTPN1ALDH1A1ALOX15CD274
SCHEMBL28047686 0.90 PTPN1 (0.49) PTPN1ALDH1A1ALOX15CD274
SCHEMBL28047785 0.82 CD274 (0.55) PTPN1CD274PDCD1
SCHEMBL28047787 0.82 CD274 (0.55) PTPN1CD274PDCD1
SCHEMBL11374004 0.81 ALDH1A1 (0.50) ALDH1A1ALOX15GAAFPR2ITGA4
SCHEMBL29228692 0.81 FPR2 (0.62) ALDH1A1ALOX15FPR2KMT2A
SCHEMBL30872672 0.81 FPR2 (0.62) ALDH1A1ALOX15FPR2KMT2A

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