SCHEMBL9870805

SCHEMBL9870805

Cc1cccc(S(=O)(=O)OC2=C(C(=O)OCc3ccccc3)N3C(=O)CC3C2)c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.48
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 1/20 0.37
GPBAR1 Q8TDU6 4/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL10570187 0.90 ELANE (0.51) ELANEHPGDGPBAR1MAPT
SCHEMBL11175452 0.83 ELANE (0.54) ELANEGPBAR1
SCHEMBL10571228 0.83 ELANE (0.46) ELANEHPGDGPBAR1MAPT
SCHEMBL11003132 0.83 ELANE (0.44) ELANEL3MBTL1HPGDGPBAR1MAPT
SCHEMBL9871240 0.81 TDP1 (0.47) ELANE
SCHEMBL9871782 0.80 ELANE (0.44) ELANEHPGDGPBAR1
SCHEMBL9871648 0.80 ELANE (0.44) ELANEL3MBTL1HPGDGPBAR1MAPT
SCHEMBL9870175 0.79 ELANE (0.58) ELANEGPBAR1
SCHEMBL9870539 0.77 ELANE (0.56) ELANEHPGDGPBAR1
SCHEMBL10643690 0.72 ELANE (0.47) ELANEGPBAR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5021566-A Carbapenicillins; preservatives; antiseptics; grampositive and gram negative bacteria MERCK & CO. INC. (US) 1991-06-04 US disclosed
US-4820817-A Process for preparing 3-substituted-6-substituted-7-oxo-1-azabicycl(3.2.0)-hept-2-ene-2-carboxylic acid MERCK & CO., INC. (US) 1989-04-11 US disclosed
US-4745188-A ANTIBIOTICS, SULFIDING MERCK & CO., INC. (US) 1988-05-17 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-4369187-A AMINO ACID DERIVATIVE ANTIBIOTICS MERCK & CO., INC. (US) 1983-01-18 US disclosed
US-4318912-A 6-(1-Hydroxyethyl)-3-substituted-1-azabicyclo(3.2.0)-hept-2-en-7-one-2-carboxylic acid MERCK & CO., INC. (US) 1982-03-09 US disclosed