SCHEMBL9519361

SCHEMBL9519361

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

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
CCR5 P51681 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
HTR2A P28223 1/20 0.32
ATM Q13315 1/20 0.31
DPP4 P27487 1/20 0.31
FAP Q12884 1/20 0.31
DPP7 Q9UHL4 1/20 0.31

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
SCHEMBL9518902 0.90 DPP8 (0.36) ALDH1A1MAPTHPGDCCR5DPP8
SCHEMBL9520885 0.88 ALDH1A1 (0.37) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL8923969 0.87 ALDH1A1 (0.37) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL8693099 0.87 ALDH1A1 (0.37) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL8693094 0.86 ALDH1A1 (0.37) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL8695041 0.86 ALDH1A1 (0.37) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL8923966 0.86 ALDH1A1 (0.37) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL8923335 0.86 ALDH1A1 (0.37) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL9135010 0.86 ALDH1A1 (0.40) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL9363090 0.86 ALDH1A1 (0.40) ALDH1A1MAPTHPGDRAB9ANPC1

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