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SCHEMBL28023958

SCHEMBL28023958

C/C=C/C=C/C(=O)OC(=O)OC(=O)/C=C/C=C/C.[KH].[KH].[NaH].[NaH]

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ EDNRA P25101 1/20 0.32
▸ CNR2 P34972 3/20 0.30
▸ CNR1 P21554 1/20 0.30
▸ PPARG P37231 1/20 0.30
▸ PPARD Q03181 1/20 0.30
▸ PPARA Q07869 1/20 0.30

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
SCHEMBL1907659 0.85 MAPK1 (0.38) LMNAMAPK1HTTEDNRACNR2
SCHEMBL1907658 0.85 MAPK1 (0.38) LMNAMAPK1HTTEDNRACNR2
SCHEMBL111657 0.85 MAPK1 (0.38) LMNAMAPK1HTTEDNRACNR2
SCHEMBL11221207 0.83 HCAR2 (0.39) LMNAMAPK1HTTEDNRACNR2
SCHEMBL7858431 0.82 ALDH1A1 (0.46) LMNAMAPK1HTTCNR2CNR1
SCHEMBL16165978 0.81 LMNA (0.36) LMNAMAPK1HTTEDNRACNR2
SCHEMBL1578006 0.81 LMNA (0.36) LMNAMAPK1HTTEDNRACNR2
SCHEMBL7173714 0.81 LMNA (0.36) LMNAMAPK1HTTEDNRACNR2
SCHEMBL4894326 0.81 LMNA (0.35) LMNAMAPK1HTTCNR2CNR1
SCHEMBL10388248 0.79 SOAT1 (0.52) LMNAMAPK1HTTCNR2CNR1

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
CN-104000275-B Spearmint essential oil microemulsion formula used for beverage anticorrosion and preparation method thereof SHANGHAI INST TECHNOLOGY 2015-07-22 — — CN disclosed