SCHEMBL9518902

SCHEMBL9518902

CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](CSCC(O)CNC(=O)OCc2ccc([N+](=O)[O-])cc2)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
ABCB1 P08183 1/20 0.36
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
TGM2 P21980 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
HPGD P15428 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA5 P08648 1/20 0.32
ITGB5 P18084 1/20 0.32
GAA P10253 1/20 0.32
CTSL P07711 1/20 0.32
CCR5 P51681 2/20 0.32

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
SCHEMBL9520187 0.90 DPP8 (0.35) DPP8DPP9ABCB1ALDH1A1MAPT
SCHEMBL9605061 0.90 ABCB1 (0.39) DPP8DPP9ABCB1ALDH1A1MAPT
SCHEMBL9519361 0.90 ALDH1A1 (0.34) DPP8DPP9ALDH1A1MAPTADRB2
SCHEMBL8693099 0.85 ALDH1A1 (0.37) ALDH1A1MAPTHPGDCCR5
SCHEMBL8923969 0.85 ALDH1A1 (0.37) ALDH1A1MAPTHPGDCCR5
SCHEMBL9790228 0.85 DPP8 (0.41) DPP8DPP9ALDH1A1MAPTTGM2
SCHEMBL9596597 0.84 ABCB1 (0.42) DPP8DPP9ABCB1ALDH1A1MAPT
SCHEMBL8923335 0.84 ALDH1A1 (0.37) ALDH1A1MAPTHPGDCCR5
SCHEMBL8695041 0.84 ALDH1A1 (0.37) ALDH1A1MAPTHPGDCCR5
SCHEMBL8693094 0.84 ALDH1A1 (0.37) ALDH1A1MAPTHPGDCCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0280771-B1 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid derivatives and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-28 EP disclosed
US-5061804-A 3-thiopyrrolidine as chemical intermediates FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-10-29 US disclosed
US-4963543-A BACTERICIDES, TREATING INFECTIOUS DISEASES; THIENAMYCINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-16 US disclosed
EP-0280771-A1 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid derivatives and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-09-07 EP disclosed