SCHEMBL8628842

SCHEMBL8628842

COC(CO)CCCCCCCCCC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PAOX Q6QHF9 4/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ PRKCA P17252 4/20 0.38
▸ PRKCE Q02156 1/20 0.37
▸ PRKCQ Q04759 1/20 0.37
▸ PRKCD Q05655 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ DUSP3 P51452 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ACHE P22303 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL18771050 0.85 ALDH1A1 (0.48) MEN1KMT2ALMNAALDH1A1
SCHEMBL20382756 0.83 FFAR4 (0.46) MAPTMAPK1LMNA
SCHEMBL15627612 0.83 TSHR (0.50) MAPTMAPK1PRKCAPRKCEPRKCQ
SCHEMBL19518105 0.83 TSHR (0.50) MAPTMAPK1PRKCAPRKCEPRKCQ
SCHEMBL17230451 0.81 MAPT (0.43) MAPTMAPK1PRKCAPRKCEPRKCQ
SCHEMBL27590325 0.81 ALDH1A1 (0.38) PAOXMAPTMAPK1ACHEALDH1A1
SCHEMBL28553913 0.79 PRKCA (0.46) MAPTMAPK1PRKCAPRKCEPRKCQ
SCHEMBL17228585 0.79 PRKCA (0.46) MAPTMAPK1PRKCAPRKCEPRKCQ
SCHEMBL15923449 0.77 LMNA (0.36) MAPTMAPK1PRKCAPRKCEPRKCQ
SCHEMBL3173662 0.77 LMNA (0.36) MAPTMAPK1PRKCAPRKCEPRKCQ

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-5723024-A Separation of 2-methyl-1-propanol from 1-butanol by extractive distillation BERG LLOYD (US) 1998-03-03 — — US disclosed
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