SCHEMBL25667472

SCHEMBL25667472

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

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 6/20 0.54
▸ PNLIP P16233 3/20 0.54
▸ PTPN2 P17706 2/20 0.54
▸ POLB P06746 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ RPS6KA5 O75582 2/20 0.46
▸ MAPKAPK2 P49137 2/20 0.46
▸ TAS2R31 P59538 1/20 0.46
▸ LMNA P02545 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL16001864 0.92 PTPN1 (0.56) PTPN1PNLIPPTPN2POLBMAPT
SCHEMBL13722523 0.92 PTPN1 (0.56) PTPN1PNLIPPTPN2POLBMAPT
SCHEMBL24264493 0.92 PTPN1 (0.56) PTPN1PNLIPPTPN2POLBMAPT
SCHEMBL9864391 0.92 PTPN1 (0.56) PTPN1PNLIPPTPN2POLBMAPT
Acetic Acid SCHEMBL30585224 0.90 PTPN1 (0.57) PTPN1PNLIPPTPN2POLBMAPT
SCHEMBL23492919 0.84 PNLIP (0.54) PTPN1PNLIPPTPN2POLBMAPT
Copalic Acid SCHEMBL25221800 0.83 TAS2R31 (0.66) PTPN1PNLIPPTPN2POLBMAPT
Copalic Acid SCHEMBL34460866 0.83 TAS2R31 (0.66) PTPN1PNLIPPTPN2POLBMAPT
Copalic Acid SCHEMBL29481956 0.83 TAS2R31 (0.66) PTPN1PNLIPPTPN2POLBMAPT
SCHEMBL25667484 0.83 PNLIP (0.53) PTPN1PNLIPPTPN2POLBMAPT

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-20230183761-A1 BIOCATALYTIC METHOD FOR THE CONTROLLED DEGRADATION OF TERPENE COMPOUNDS FIRMENICH SA (CH) 2023-06-15 — — US disclosed
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