SCHEMBL25434347

SCHEMBL25434347

C=C1CCC2C(C)(C)CCCC2(C)C1COC(C)OCC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PNLIP P16233 3/20 0.47
▸ PTPN1 P18031 7/20 0.45
▸ PTPN2 P17706 2/20 0.45
▸ RPS6KA5 O75582 2/20 0.44
▸ MAPKAPK2 P49137 2/20 0.44
▸ ATP1A1 P05023 1/20 0.37
▸ ATP1B1 P05026 1/20 0.37
▸ ATP1A3 P13637 1/20 0.37
▸ ATP1B2 P14415 1/20 0.37
▸ ATP1A2 P50993 1/20 0.37
▸ ATP1B3 P54709 1/20 0.37
▸ FXYD2 P54710 1/20 0.37
▸ ATP1A4 Q13733 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL25431737 1.00 PNLIP (0.47) PNLIPPTPN1PTPN2RPS6KA5MAPKAPK2
SCHEMBL25436451 1.00 PNLIP (0.47) PNLIPPTPN1PTPN2RPS6KA5MAPKAPK2
SCHEMBL31592751 1.00 PNLIP (0.47) PNLIPPTPN1PTPN2RPS6KA5MAPKAPK2
SCHEMBL30585219 0.85 RPS6KA5 (0.38) PNLIPPTPN1PTPN2RPS6KA5MAPKAPK2
SCHEMBL31592694 0.85 RPS6KA5 (0.38) PNLIPPTPN1PTPN2RPS6KA5MAPKAPK2
SCHEMBL25438431 0.85 RPS6KA5 (0.38) PNLIPPTPN1PTPN2RPS6KA5MAPKAPK2
SCHEMBL25436327 0.85 RPS6KA5 (0.38) PNLIPPTPN1PTPN2RPS6KA5MAPKAPK2
SCHEMBL30585236 0.85 RPS6KA5 (0.38) PNLIPPTPN1PTPN2RPS6KA5MAPKAPK2
SCHEMBL25397549 0.77 PNLIP (0.50) PNLIPPTPN1PTPN2RPS6KA5MAPKAPK2
SCHEMBL25397289 0.77 PNLIP (0.50) PNLIPPTPN1PTPN2RPS6KA5MAPKAPK2

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-2023156429-A1 PROCESS FOR PREPARING OCTAHYDRO-2(1H)-NAPHTHALENONE DERIVATIVES FIRMENICH SA (CH) 2023-08-24 — — WO disclosed
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