SCHEMBL9825431

SCHEMBL9825431

CC(CCCCC1OC(=O)C1CO)CC(C)CC(C)CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAGLA Q9Y4D2 5/20 0.38
▸ PRKCA P17252 3/20 0.36
▸ PRKD3 O94806 1/20 0.36
▸ PRKCG P05129 1/20 0.36
▸ PRKCB P05771 1/20 0.36
▸ PRKCH P24723 1/20 0.36
▸ PRKCE Q02156 1/20 0.36
▸ PRKCQ Q04759 1/20 0.36
▸ PRKCD Q05655 1/20 0.36
▸ PRKD1 Q15139 1/20 0.36
▸ PNLIP P16233 2/20 0.34
▸ DAGLB Q8NCG7 2/20 0.33
▸ CNR1 P21554 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ ABHD16A O95870 1/20 0.33
▸ LPL P06858 1/20 0.33
▸ LIPC P11150 1/20 0.33
▸ ACHE P22303 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
SCHEMBL10367940 0.81 PRKCA (0.41) DAGLAPRKCAPRKD3PRKCGPRKCB
SCHEMBL10373019 0.79 PRKCA (0.35) DAGLAPRKCAPRKD3PRKCGPRKCB
Antibiotic 1233A SCHEMBL285679 0.75 PRKCA (0.35) DAGLAPRKCAPRKD3PRKCGPRKCB
Antibiotic 1233A SCHEMBL613745 0.75 PRKCA (0.35) DAGLAPRKCAPRKD3PRKCGPRKCB
SCHEMBL716047 0.74 PRKCA (0.43) DAGLAPRKCAPRKD3PRKCGPRKCB
SCHEMBL716045 0.74 PRKCA (0.43) DAGLAPRKCAPRKD3PRKCGPRKCB
SCHEMBL9824730 0.74 PRKCA (0.34) DAGLAPRKCAPRKD3PRKCGPRKCB
SCHEMBL9576485 0.73 DAGLA (0.35) DAGLAPRKCAPRKD3PRKCGPRKCB
SCHEMBL10430879 0.73 DAGLA (0.33) DAGLAPNLIPDAGLBCNR1MAPT
SCHEMBL14360676 0.70 FFAR4 (0.44) MEN1KMT2AHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0285254-B1 ANTIHYPERCHOLESTEROLEMIC BETALACTONES MERCK & CO. INC. (US) 1991-07-10 — — EP disclosed
EP-0349047-A2 Treatment of diabetic ketoacidosis MERCK & CO. INC. (US) 1990-01-03 — — EP disclosed
US-4873260-A B-LACTONE ALKYLENE CARBOXYLIC ACIDS AND DERIVATIVES MERCK & CO., INC. (US) 1989-10-10 — — US disclosed
US-4847271-A Antihypercholesterolemic β-lactones MERCK & CO., INC. (US) 1989-07-11 — — US disclosed
EP-0285254-A1 Antihypercholesterolemic betalactones MERCK & CO. INC. (US) 1988-10-05 — — EP disclosed
US-4751237-A ENZYME INHIBITORS MERCK & CO., INC. (US) 1988-06-14 — — US disclosed
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