SCHEMBL9363602

SCHEMBL9363602

O=C(NC1CC[N]CC1)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.60
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.46
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RAB9A P51151 1/20 0.43
SIGMAR1 Q99720 2/20 0.43

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
SCHEMBL9363187 0.93 EPHX1 (0.55) EPHX1ALDH1A1GAATSHRDPP8
SCHEMBL2199000 0.87 EPHX1 (0.72) EPHX1ALDH1A1GAA
SCHEMBL31095903 0.85 EPHX1 (0.57) EPHX1ALDH1A1GAATSHRDPP8
SCHEMBL15822382 0.85 EPHX1 (0.57) EPHX1ALDH1A1GAATSHRDPP8
SCHEMBL15822380 0.84 EPHX1 (0.56) EPHX1ALDH1A1GAATSHRDPP8
SCHEMBL10808480 0.84 ALDH1A1 (0.70) EPHX1ALDH1A1GAATSHRDPP8
SCHEMBL10808476 0.84 ALDH1A1 (0.70) EPHX1ALDH1A1GAATSHRDPP8
SCHEMBL31095801 0.83 EPHX1 (0.55) EPHX1ALDH1A1GAATSHRDPP8
SCHEMBL9261105 0.81 EPHX1 (0.52) EPHX1ALDH1A1GAADPP8DPP9
Hydrochloric Acid SCHEMBL5723839 0.81 EPHX1 (0.52) EPHX1ALDH1A1GAADPP8DPP9

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-0333175-B1 3-Pyrrolidinylthio-1-azabicyclo (3.2.0)hept-2-ene-2-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO (JP) 1994-06-15 EP disclosed
US-5202437-A Bactericides, antibiotics, microbiocides FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1993-04-13 US disclosed
US-4925838-A CARBAPENICILLINS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-05-15 US 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