SCHEMBL22874291

SCHEMBL22874291

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PNLIP P16233 3/20 0.56
▸ PTPN1 P18031 7/20 0.54
▸ PTPN2 P17706 2/20 0.54
▸ TAS2R31 P59538 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ RPS6KA5 O75582 2/20 0.44
▸ MAPKAPK2 P49137 2/20 0.44
▸ CYP19A1 P11511 1/20 0.40

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
SCHEMBL25251393 1.00 PNLIP (0.56) PNLIPPTPN1PTPN2TAS2R31POLB
SCHEMBL22874145 1.00 PNLIP (0.56) PNLIPPTPN1PTPN2TAS2R31POLB
SCHEMBL25269132 1.00 PNLIP (0.56) PNLIPPTPN1PTPN2TAS2R31POLB
Formic Acid SCHEMBL25224821 0.96 PNLIP (0.58) PNLIPPTPN1PTPN2TAS2R31POLB
SCHEMBL13922321 0.91 PNLIP (0.54) PNLIPPTPN1PTPN2TAS2R31POLB
SCHEMBL25238735 0.89 PNLIP (0.55) PNLIPPTPN1PTPN2TAS2R31POLB
SCHEMBL18372447 0.89 PNLIP (0.55) PNLIPPTPN1PTPN2TAS2R31POLB
SCHEMBL19569823 0.89 PNLIP (0.55) PNLIPPTPN1PTPN2TAS2R31POLB
SCHEMBL21617317 0.89 PNLIP (0.55) PNLIPPTPN1PTPN2TAS2R31POLB
SCHEMBL18372446 0.89 PNLIP (0.55) PNLIPPTPN1PTPN2TAS2R31POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183761-A1 BIOCATALYTIC METHOD FOR THE CONTROLLED DEGRADATION OF TERPENE COMPOUNDS FIRMENICH SA (CH) 2023-06-15 — — US disclosed
US-20230183761-A1 BIOCATALYTIC METHOD FOR THE CONTROLLED DEGRADATION OF TERPENE COMPOUNDS FIRMENICH SA (CH) 2023-06-15 — — US disclosed
WO-2021005097-A9 BIOCATALYTIC METHOD FOR THE CONTROLLED DEGRADATION OF TERPENE COMPOUNDS FIRMENICH SA (CH) 2022-02-24 — — WO disclosed
WO-2021005097-A1 BIOCATALYTIC METHOD FOR THE CONTROLLED DEGRADATION OF TERPENE COMPOUNDS FIRMENICH SA (CH) 2021-01-14 — — WO disclosed
Send feedback