SCHEMBL9519480

SCHEMBL9519480

NC(=O)COC[C@@H]1C[C@H](S)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
ATM Q13315 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
IDO1 P14902 2/20 0.37
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36

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
SCHEMBL9521316 0.90 TDP1 (0.39) RAB9ANPC1TDP1ATMALDH1A1
SCHEMBL10370916 0.89 RAB9A (0.42) RAB9ANPC1TDP1ATMALDH1A1
SCHEMBL9519874 0.88 RAB9A (0.39) RAB9ANPC1TDP1ATMALDH1A1
SCHEMBL10370030 0.88 RAB9A (0.42) RAB9ANPC1TDP1ATMALDH1A1
SCHEMBL9795061 0.87 ALDH1A1 (0.39) RAB9ATDP1ATMALDH1A1MAPT
SCHEMBL9794979 0.87 ALDH1A1 (0.38) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9518914 0.87 TDP1 (0.40) RAB9ANPC1TDP1ATMALDH1A1
SCHEMBL9794972 0.86 TDP1 (0.39) RAB9ANPC1TDP1ATMALDH1A1
SCHEMBL9519631 0.86 DPP8 (0.40) RAB9ANPC1TDP1ATMALDH1A1
SCHEMBL7811546 0.85 RAB9A (0.43) RAB9ANPC1TDP1ATMALDH1A1

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