SCHEMBL28825355

SCHEMBL28825355

COc1cc(OC)c(C(=O)CC(C)C)c(OC[C@H]2CO2)c1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2D6 P10635 1/20 0.40
ADRA2C P18825 1/20 0.40
OPRK1 P41145 1/20 0.40
KCNH2 Q12809 1/20 0.40
EBP Q15125 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
PKM P14618 1/20 0.40
PDE4D Q08499 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
SCHEMBL28047721 1.00 LMNA (0.40) LMNAHTR1AADRA2ACYP2D6ADRA2C
SCHEMBL28047791 1.00 LMNA (0.40) LMNAHTR1AADRA2ACYP2D6ADRA2C
SCHEMBL28825360 0.83 TP53 (0.47) LMNAPKMPDE4D
SCHEMBL28047700 0.83 TP53 (0.47) LMNAPKMPDE4D
SCHEMBL28047713 0.83 TP53 (0.47) LMNAPKMPDE4D
SCHEMBL28047701 0.74 CYP3A4 (0.61) CYP2D6
SCHEMBL28047859 0.74 FFAR1 (0.41)
SCHEMBL10887701 0.72 ALDH1A1 (0.45) LMNAADRA2CPKM
SCHEMBL28047757 0.72 ALDH1A1 (0.45) LMNAADRA2CPKM
SCHEMBL7198348 0.70 CYP3A4 (0.46) LMNAHTR1AADRA2ACYP2D6ADRA2C

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