Licoagrochacone A

Licoagrochacone A

SCHEMBL29929441

C=CC(C)(C)c1cc(C=CC(=O)c2ccc(O)cc2)c(OC)cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 13/20 1.00
DPP4 P27487 4/20 1.00
ABCG2 Q9UNQ0 2/20 1.00
IDH1 O75874 1/20 1.00
ABCB1 P08183 1/20 1.00
UGT1A1 P22309 1/20 1.00
ABCC1 P33527 1/20 1.00
PRMT6 Q96LA8 1/20 1.00
CAPN1 P07384 1/20 0.60
CTSL P07711 1/20 0.60
CTSB P07858 1/20 0.60
TDP1 Q9NUW8 1/20 0.60

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
Licoagrochacone A SCHEMBL30383634 1.00 PTPN1 (1.00) PTPN1DPP4ABCG2IDH1ABCB1
Licoagrochacone A SCHEMBL4906294 1.00 PTPN1 (1.00) PTPN1DPP4ABCG2IDH1ABCB1
Licoagrochacone A SCHEMBL114042 1.00 PTPN1 (1.00) PTPN1DPP4ABCG2IDH1ABCB1
SCHEMBL24026322 0.92 PTPN1 (0.85) PTPN1DPP4ABCG2IDH1ABCB1
SCHEMBL7191524 0.92 PTPN1 (1.00) PTPN1DPP4ABCG2IDH1ABCB1
SCHEMBL7191527 0.92 PTPN1 (1.00) PTPN1DPP4ABCG2IDH1ABCB1
Licoagrochacone A SCHEMBL25196053 0.89 PTPN1 (0.80) PTPN1DPP4ABCG2IDH1ABCB1
SCHEMBL7187524 0.88 PTPN1 (0.79) PTPN1DPP4ABCG2IDH1ABCB1
SCHEMBL7187519 0.88 PTPN1 (0.79) PTPN1DPP4ABCG2IDH1ABCB1
SCHEMBL7178841 0.88 PTPN1 (0.78) PTPN1DPP4ABCG2IDH1ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023064318-A1 BIPHASIC COMPOSITIONS COMPRISING ONE OR BOTH OF CARBONATE AND PHOSPHATE Natural Extraction Systems, LLC (US) 2023-04-20 WO claimed
WO-2022182527-A1 COMPOSITIONS AND METHODS RELATED TO PHARMACEUTICAL EXCIPIENTS Natural Extraction Systems, LLC (US) 2022-09-01 WO claimed
WO-2023064318-A1 BIPHASIC COMPOSITIONS COMPRISING ONE OR BOTH OF CARBONATE AND PHOSPHATE Natural Extraction Systems, LLC (US) 2023-04-20 WO disclosed