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Labdadienedial

Labdadienedial

SCHEMBL14023290

C=C1CCC2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(/C=O)CC=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PNLIP P16233 14/20 1.00
▸ PTPN2 P17706 2/20 0.77
▸ PTPN1 P18031 2/20 0.77
▸ TRPA1 O75762 2/20 0.53
▸ POLB P06746 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ RPS6KA5 O75582 1/20 0.46
▸ MAPKAPK2 P49137 1/20 0.46

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
Labdadienedial SCHEMBL29390865 1.00 PNLIP (1.00) PNLIPPTPN2PTPN1TRPA1POLB
Labdadienedial SCHEMBL16260939 1.00 PNLIP (1.00) PNLIPPTPN2PTPN1TRPA1POLB
SCHEMBL17145203 0.88 PNLIP (0.78) PNLIPPTPN2PTPN1POLBMAPT
Zerumin A SCHEMBL29581301 0.87 PNLIP (1.00) PNLIPPTPN2PTPN1POLBMAPT
Zerumin A SCHEMBL24422154 0.87 PNLIP (1.00) PNLIPPTPN2PTPN1POLBMAPT
SCHEMBL9864022 0.84 PNLIP (0.72) PNLIPPTPN2PTPN1POLBMAPT
SCHEMBL16259431 0.84 PNLIP (0.72) PNLIPPTPN2PTPN1POLBMAPT
SCHEMBL30515438 0.84 PNLIP (0.72) PNLIPPTPN2PTPN1POLBMAPT
Calcaratarin A SCHEMBL30897423 0.84 PNLIP (0.72) PNLIPPTPN2PTPN1POLBMAPT
SCHEMBL17145205 0.82 PNLIP (0.70) PNLIPPTPN2PTPN1POLBMAPT

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
WO-2008138162-A1 COMPOSITIONS AND THEIR USE GIVAUDAN SA (CH) 2008-11-20 — — WO disclosed
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