SCHEMBL9871104

SCHEMBL9871104

[CH2]c1cccc(OC(=O)C(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELANE P08246 14/20 0.52
CYP3A4 P08684 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
CA2 P00918 2/20 0.40

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
SCHEMBL18791204 0.81 CYP3A4 (0.67) ELANECYP3A4
SCHEMBL9011671 0.80 LMNA (0.65) ELANECYP3A4MEN1KMT2ALMNA
SCHEMBL1747775 0.79 LMNA (0.63) ELANECYP3A4MEN1KMT2ALMNA
SCHEMBL16952675 0.79 ELANE (0.51) ELANECYP3A4MEN1KMT2ALMNA
SCHEMBL4139556 0.79 ELANE (0.52) ELANECYP3A4MEN1KMT2ACA2
SCHEMBL21281787 0.79 ELANE (0.52) ELANECYP3A4
SCHEMBL6024449 0.79 CYP1A2 (0.53) ELANECYP3A4KMT2ALMNA
SCHEMBL413431 0.78 ELANE (0.47) ELANECYP3A4
SCHEMBL16005386 0.77 ELANE (0.54) ELANE
SCHEMBL22858454 0.77 ELANE (0.58) ELANEKMT2ALMNA

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 31 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-4644007-A GLAUCOMA TREATMENT ALCON LABORATORIES, INC. (US) 1987-02-17 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-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-4078067-A ANTIBIOTICS MERCK & CO., INC. (US) 1978-03-07 US disclosed
US-4078068-A ANTIBIOTICS MERCK & CO., INC. (US) 1978-03-07 US disclosed
US-4076826-A ANTIBIOTIC MERCK & CO., INC. (US) 1978-02-28 US disclosed