SCHEMBL9824730

SCHEMBL9824730

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 3/20 0.34
PRKD3 O94806 1/20 0.34
PRKCG P05129 1/20 0.34
PRKCB P05771 1/20 0.34
PRKCH P24723 1/20 0.34
PRKCE Q02156 1/20 0.34
PRKCQ Q04759 1/20 0.34
PRKCD Q05655 1/20 0.34
PRKD1 Q15139 1/20 0.34
DAGLA Q9Y4D2 10/20 0.34
CNR1 P21554 8/20 0.32
DAGLB Q8NCG7 3/20 0.31
MGLL Q99685 1/20 0.31
MEN1 O00255 1/20 0.31
NR1I2 O75469 1/20 0.31
ABHD16A O95870 1/20 0.31
LPL P06858 1/20 0.31
MAPT P10636 1/20 0.31
LIPC P11150 1/20 0.31
PNLIP P16233 1/20 0.31

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
Antibiotic 1233A SCHEMBL285679 0.85 PRKCA (0.35) PRKCAPRKD3PRKCGPRKCBPRKCH
Antibiotic 1233A SCHEMBL613745 0.85 PRKCA (0.35) PRKCAPRKD3PRKCGPRKCBPRKCH
Antibiotic 1233A SCHEMBL285680 0.85 PRKCA (0.35) PRKCAPRKD3PRKCGPRKCBPRKCH
SCHEMBL713268 0.81 DAGLA (0.34) PRKCAPRKD3PRKCGPRKCBPRKCH
SCHEMBL713269 0.81 DAGLA (0.34) PRKCAPRKD3PRKCGPRKCBPRKCH
SCHEMBL10367940 0.81 PRKCA (0.41) PRKCAPRKD3PRKCGPRKCBPRKCH
SCHEMBL10373019 0.81 PRKCA (0.35) PRKCAPRKD3PRKCGPRKCBPRKCH
SCHEMBL713540 0.81 PRKCA (0.35) PRKCAPRKD3PRKCGPRKCBPRKCH
SCHEMBL10371410 0.81 PRKCA (0.35) PRKCAPRKD3PRKCGPRKCBPRKCH
SCHEMBL10373020 0.81 PRKCA (0.35) PRKCAPRKD3PRKCGPRKCBPRKCH

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