SCHEMBL9878075

SCHEMBL9878075

O=C(NCCSSCCNC(=O)OCc1ccc([N+](=O)[O-])cc1)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.54
DPP9 Q86TI2 1/20 0.54
TGM2 P21980 1/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
IDO1 P14902 2/20 0.47
GAA P10253 2/20 0.47
AKR1C3 P42330 1/20 0.47
MGLL Q99685 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
HTR2A P28223 1/20 0.45

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
SCHEMBL11099186 0.93 DPP8 (0.56) DPP8DPP9TGM2ALDH1A1MAPT
SCHEMBL10500161 0.91 DPP8 (0.58) DPP8DPP9TGM2ALDH1A1MAPT
SCHEMBL9877714 0.89 DPP8 (0.52) DPP8DPP9TGM2ALDH1A1MAPT
SCHEMBL11161416 0.87 DPP8 (0.55) DPP8DPP9TGM2ALDH1A1MAPT
SCHEMBL10825508 0.86 DPP8 (0.54) DPP8DPP9TGM2ALDH1A1MAPT
SCHEMBL6397529 0.86 DPP8 (0.54) DPP8DPP9TGM2ALDH1A1MAPT
SCHEMBL10916785 0.86 DPP8 (0.54) DPP8DPP9TGM2ALDH1A1MAPT
SCHEMBL9128787 0.86 DPP8 (0.54) DPP8DPP9TGM2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL5724600 0.84 DPP8 (0.55) DPP8DPP9TGM2ALDH1A1MAPT
SCHEMBL6418689 0.84 DPP8 (0.58) DPP8DPP9TGM2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992542-A Thienamycin antibiotics MERCK & CO., INC. (US) 1991-02-12 US disclosed
EP-0001628-B1 3-SUBSTITUTED-6-SUBSTITUTED-7-OXO-1-AZABICYCLO (3.2.0)-HEPT-2-ENE-2-CARBOXYLIC ACID, ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT MERCK & CO. INC. (US) 1984-01-18 EP disclosed
EP-0010317-B1 6-, 1- AND 2-SUBSTITUTED-1-CARBAPEN-2-EM-3-CARBOXYLIC ACIDS, PROCESSES FOR THE PREPARATION OF SUCH COMPOUNDS AND PHARMACEUTICAL COMPOSITION COMPRISING SUCH COMPOUNDS MERCK & CO. INC. (US) 1983-12-21 EP disclosed
EP-0082133-A2 A process for preparing intermediates useful for preparing 2-substituted-6-substituted-1-carbadethiapen-2-em-3-carboxylic acids MERCK & CO. INC. (US) 1983-06-22 EP disclosed
US-4347368-A ANTIBIOTICS MERCK & CO., INC. (US) 1982-08-31 US disclosed
US-4281002-A ANTIBIOTICS MERCK & CO., INC. (US) 1981-07-28 US disclosed
US-4269873-A PENICILLIN DERIVATIVES MERCK & CO., INC. (US) 1981-05-26 US disclosed
US-4264621-A ANTIBIOTICS MERCK & CO., INC. (US) 1981-04-28 US disclosed
US-4234596-A ISOMERS OF THIENAMYCIN MERCK & CO., INC. (US) 1980-11-18 US disclosed
US-4232036-A 6-, 1- and 2-Substituted-1-carbadethiapen-2-em-3-carboxylic acids MERCK & CO., INC. (US) 1980-11-04 US disclosed
EP-0017992-A1 2-Substituted-6-substituted-1-carbadethiapen-2-em-3-carboxylic acids, processes for preparing them, antibiotic pharmaceutical compositions containing same and process for preparing intermediates MERCK & CO. INC. (US) 1980-10-29 EP disclosed
US-4224336-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-09-23 US disclosed
US-4218462-A 6-(1-Hydroxyethyl)-2-(2-aminoethylthio)-1-substituted-1-carbade-thiapen-2-em-3-carboxylic acids MERCK & CO., INC. (US) 1980-08-19 US disclosed
EP-0010317-A1 6-, 1- and 2-substituted-1-carbapen-2-em-3-carboxylic acids, processes for the preparation of such compounds and pharmaceutical composition comprising such compounds MERCK & CO. INC. (US) 1980-04-30 EP disclosed
EP-0001628-A1 3-Substituted-6-substituted-7-oxo-1-azabicyclo (3.2.0)-hept-2-ene-2-carboxylic acid, its preparation and pharmaceutical compositions containing it MERCK & CO. INC. (US) 1979-05-02 EP disclosed