SCHEMBL9871939

SCHEMBL9871939

[CH2]C(=O)COC(=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.41
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BTN3A1 O00481 5/20 0.33
ELANE P08246 3/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL28019636 0.79 PRKCA (0.43) PRKCAPOLBGAANPSR1BTN3A1
SCHEMBL9714746 0.78 PRKCA (0.39) PRKCAPOLBGAANPSR1BTN3A1
SCHEMBL7089654 0.77 PRKCA (0.42) PRKCAPOLBGAANPSR1BTN3A1
SCHEMBL13647509 0.77 MAPK1 (0.47) PRKCAPOLBGAANPSR1BTN3A1
SCHEMBL3517297 0.77 PRKCA (0.42) PRKCAPOLBGAANPSR1BTN3A1
SCHEMBL8816807 0.77 PRKCA (0.42) PRKCAPOLBGAANPSR1BTN3A1
SCHEMBL9866275 0.77 PRKCA (0.42) PRKCAPOLBGAANPSR1BTN3A1
SCHEMBL15976179 0.76 BTN3A1 (0.39) PRKCAPOLBGAANPSR1BTN3A1
SCHEMBL7222887 0.75 PRKCA (0.41) PRKCAPOLBGAANPSR1BTN3A1
SCHEMBL6205519 0.75 PRKCA (0.41) PRKCAPOLBGAANPSR1BTN3A1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4181733-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-01-01 US claimed
US-5021566-A Carbapenicillins; preservatives; antiseptics; grampositive and gram negative bacteria MERCK & CO. INC. (US) 1991-06-04 US disclosed
US-4957912-A ANTIBIOTICS MERCK & CO., INC. (US) 1990-09-18 US disclosed
US-4707547-A AMINATION TO FORM ANTIBIOTIC MERCK & CO., INC. (US) 1987-11-17 US disclosed
US-4530841-A Antibiotic containing hetero ring MERCK & CO., INC. (US) 1985-07-23 US disclosed
EP-0134301-A1 6-(1'-Hydroxyethyl)-3-substituted amino-1-azabicyclo(3.2.0)-hept-2-en-7-one-2-carboxylic acid MERCK & CO. INC. (US) 1985-03-20 EP disclosed
US-4424230-A CARBAPENICILLIN ANTIBIOTICS MERCK & CO., INC. (US) 1984-01-03 US disclosed
US-4397861-A ANTIBIOTICS MERCK & CO., INC. (US) 1983-08-09 US disclosed
US-4369187-A AMINO ACID DERIVATIVE ANTIBIOTICS MERCK & CO., INC. (US) 1983-01-18 US disclosed
US-4357342-A 1-Azabicyclo[3.2.0]heptan-3,7-dione-2-carboxylic acid MERCK & CO., INC. (US) 1982-11-02 US disclosed
US-4196211-A ANTIBIOTIC MERCK & CO., INC. (US) 1980-04-01 US disclosed
US-4194047-A Substituted N-methylene derivatives of thienamycin MERCK & CO., INC. (US) 1980-03-18 US disclosed
US-4181733-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-01-01 US disclosed
US-4172144-A Schiff's base derivatives of thienamycin MERCK & CO., INC. (US) 1979-10-23 US disclosed
US-4150145-A ANTIBIOTIC, BACTERICIDES MERCK & CO., INC. (US) 1979-04-17 US disclosed
EP-0001264-A1 Substituted N-methylene derivatives of thienamycin sulfoxide and sulfone and their preparation MERCK & CO. INC. (US) 1979-04-04 EP disclosed
EP-0001265-A1 O-, N- and carboxyl derivatives of thienamycin sulfoxide and sulfone, their preparation and pharmaceuticals containing said compounds MERCK & CO. INC. (US) 1979-04-04 EP disclosed
US-4078068-A ANTIBIOTICS MERCK & CO., INC. (US) 1978-03-07 US disclosed
US-4078067-A ANTIBIOTICS MERCK & CO., INC. (US) 1978-03-07 US disclosed
US-4076826-A ANTIBIOTIC MERCK & CO., INC. (US) 1978-02-28 US disclosed