SCHEMBL9519366

SCHEMBL9519366

CS(=O)(=O)O[C@@H]1C[C@@H](COCCNC(=O)OCc2ccc([N+](=O)[O-])cc2)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ABCB1 P08183 1/20 0.36
BMP1 P13497 1/20 0.35
TGM2 P21980 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34

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
SCHEMBL9520780 0.93 DPP8 (0.36) DPP8DPP9ALDH1A1MAPTHPGD
SCHEMBL9522357 0.91 CYP19A1 (0.36) DPP8DPP9ALDH1A1MAPTHPGD
SCHEMBL9519224 0.89 ALDH1A1 (0.37) ALDH1A1MAPTHPGDCCR5TDP1
SCHEMBL9520276 0.88 ALDH1A1 (0.37) LMNAALDH1A1MAPTHPGDRAB9A
SCHEMBL9795094 0.88 ALDH1A1 (0.37) ALDH1A1MAPTHPGDRAB9ACCR5
SCHEMBL9520458 0.87 DPP8 (0.46) DPP8DPP9LMNASMN1; SMN2TGM2
SCHEMBL9794987 0.87 ALDH1A1 (0.39) ALDH1A1MAPTHPGDCCR5TDP1
SCHEMBL9522440 0.85 TDP1 (0.38) ALDH1A1MAPTHPGDCCR5TDP1
SCHEMBL9519403 0.85 DPP8 (0.37) DPP8DPP9ABCB1TGM2ALDH1A1
SCHEMBL7859907 0.85 PSEN1 (0.39) DPP8DPP9LMNASMN1; SMN2ALDH1A1

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