SCHEMBL8587397

SCHEMBL8587397

O=C(OCc1ccc([N+](=O)[O-])cc1)N1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 2/20 0.56
DPP8 Q6V1X1 1/20 0.55
DPP9 Q86TI2 1/20 0.55
AKR1C3 P42330 1/20 0.51
KMT2A Q03164 3/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 2/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.50
GAA P10253 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL9519331 1.00 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNAMAPTDPP8
Hydrochloric Acid SCHEMBL27949581 0.97 LMNA (0.53) ALDH1A1SMN1; SMN2LMNAMAPTDPP8
SCHEMBL9661798 0.88 KCNJ1 (0.49) ALDH1A1SMN1; SMN2LMNAMAPTDPP8
SCHEMBL9363980 0.87 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2LMNAMAPTDPP8
SCHEMBL3039451 0.87 KCNJ1 (0.53) ALDH1A1SMN1; SMN2LMNAMAPTDPP8
SCHEMBL3039444 0.87 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2LMNAMAPTDPP8
SCHEMBL10636452 0.87 DPP8 (0.47) ALDH1A1SMN1; SMN2LMNAMAPTDPP8
SCHEMBL8426254 0.87 DPP8 (0.47) ALDH1A1SMN1; SMN2LMNAMAPTDPP8
SCHEMBL5724018 0.86 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2LMNAMAPTAKR1C3
Hydrochloric Acid SCHEMBL5724126 0.86 KCNJ1 (0.52) ALDH1A1SMN1; SMN2LMNAMAPTDPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109415365-A Carbapenem compounds 幽兰医药有限公司 2019-03-01 CN disclosed
WO-2012114280-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF PYRROLIDINE THIOL DERIVATIVES USEFUL IN THE SYNTHESIS OF CARBAPENEM COMPOUNDS ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2012-08-30 WO disclosed
EP-0518558-B1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics SANKYO CO (JP) 1998-09-02 EP disclosed
EP-0757051-A1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-05 EP disclosed
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
WO-1993011128-A1 AMINOALKYLPYRROLIDINYLTHIOCARBAPENEM DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-10 WO disclosed
EP-0518558-A1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics Sankyo Company Limited (JP) 1992-12-16 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-0365223-A2 Process for the preparation of penems PFIZER INC. (US) 1990-04-25 EP disclosed
EP-0333175-A1 3-Pyrrolidinylthio-1-azabicyclo (3.2.0)hept-2-ene-2-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-09-20 EP 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