SCHEMBL9519722

SCHEMBL9519722

CC(C)(OC[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ATM Q13315 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
MAOB P27338 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33

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
SCHEMBL9519853 0.88 ALDH1A1 (0.36) CCR5ALDH1A1MAPTRAB9AHPGD
SCHEMBL9519220 0.86 ALDH1A1 (0.37) CCR5ALDH1A1MAPTRAB9AHPGD
SCHEMBL9518937 0.86 ALDH1A1 (0.38) CCR5ALDH1A1MAPTRAB9AHPGD
SCHEMBL9519403 0.85 DPP8 (0.37) CCR5ALDH1A1MAPTHPGDTDP1
SCHEMBL7805407 0.85 ALDH1A1 (0.41) CCR5ALDH1A1MAPTHPGDTDP1
SCHEMBL9520276 0.84 ALDH1A1 (0.37) CCR5ALDH1A1MAPTRAB9AHPGD
SCHEMBL9522440 0.83 TDP1 (0.38) CCR5ALDH1A1MAPTHPGDTDP1
SCHEMBL9519224 0.83 ALDH1A1 (0.37) CCR5ALDH1A1MAPTHPGDTDP1
SCHEMBL9522561 0.83 CCR5 (0.35) CCR5ALDH1A1MAPTRAB9AHPGD
SCHEMBL10402781 0.83 HTR2A (0.35) CCR5ALDH1A1MAPTRAB9AHPGD

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 7 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
EP-0272456-B1 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid compounds and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-03-31 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
US-4822787-A 3-pyrrolidinylthio-1-azabicyclo(3.2.0)-hept-2-ene-2-carboxylic acid compounds and antimicrobial activity thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-04-18 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
EP-0272456-A1 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid compounds and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-06-29 EP disclosed