Macrocarpal A

Macrocarpal A

SCHEMBL27602003

CC(C)CC(c1c(O)c(C=O)c(O)c(C=O)c1O)C1(C)CCC2C1C1C(CCC2(C)O)C1(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 1.00
PLA2R1 Q13018 1/20 1.00

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
Macrocarpal A SCHEMBL13597681 1.00 PTPN1 (1.00) PTPN1PLA2R1
Macrocarpal A SCHEMBL4412279 1.00 PTPN1 (1.00) PTPN1PLA2R1
Macrocarpal A SCHEMBL96208 1.00 PTPN1 (1.00) PTPN1PLA2R1
Macrocarpal B SCHEMBL96058 1.00 PTPN1 (1.00) PTPN1PLA2R1
Macrocarpal A SCHEMBL96222 1.00 PTPN1 (1.00) PTPN1PLA2R1
Macrocarpal A SCHEMBL23484425 1.00 PTPN1 (1.00) PTPN1PLA2R1
Macrocarpal A SCHEMBL13597677 1.00 PTPN1 (1.00) PTPN1PLA2R1
Macrocarpal A SCHEMBL4413981 1.00 PTPN1 (1.00) PTPN1PLA2R1
SCHEMBL12549605 0.91 PTPN1 (0.83) PTPN1PLA2R1
SCHEMBL12549608 0.91 PTPN1 (0.83) PTPN1PLA2R1

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-1634838-A Compound extracted from eucalyptus plants and use thereof SCHOOL OF PHARMACY PLA SECOND (CN) 2005-07-06 CN disclosed