SCHEMBL15214261

SCHEMBL15214261

C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/CC

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.64
MAPT P10636 1/20 0.64
PTPN1 P18031 3/20 0.60
TAS2R31 P59538 1/20 0.50
PNLIP P16233 2/20 0.45
PTPN2 P17706 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MMP2 P08253 1/20 0.43

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
Isocupressic Acid SCHEMBL19139984 0.93 POLB (0.66) POLBMAPTPTPN1TAS2R31PNLIP
Isocupressic Acid SCHEMBL13532265 0.93 POLB (0.66) POLBMAPTPTPN1TAS2R31PNLIP
Agathic Acid SCHEMBL29358171 0.88 TAS2R31 (0.64) POLBMAPTPTPN1TAS2R31PNLIP
Agathic Acid SCHEMBL30436331 0.88 TAS2R31 (0.64) POLBMAPTPTPN1TAS2R31PNLIP
Agathic Acid SCHEMBL21914839 0.88 TAS2R31 (0.64) POLBMAPTPTPN1TAS2R31PNLIP
SCHEMBL30436964 0.85 POLB (0.58) POLBMAPTPTPN1TAS2R31PNLIP
SCHEMBL30671350 0.83 POLB (0.67) POLBMAPTPTPN1TAS2R31PNLIP
SCHEMBL16622815 0.81 PTPN1 (0.66) POLBMAPTPTPN1TAS2R31PNLIP
SCHEMBL16622825 0.81 PTPN1 (0.66) POLBMAPTPTPN1PNLIPPTPN2
SCHEMBL16622816 0.81 POLB (0.81) POLBMAPTPTPN1PNLIPPTPN2

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
US-8519007-B2 Use certain diterpene compounds in the treatment of androgen receptor-associated diseases ACADEMIA SINICA (TW) 2013-08-27 US disclosed