SCHEMBL6063380

SCHEMBL6063380

O=[N+]([O-])N(O)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.36
ADH1A P07327 7/20 0.34
FDPS P14324 1/20 0.34
ADH1C P00326 5/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PHGDH O43175 2/20 0.32
MGLL Q99685 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.31
ADH4 P08319 1/20 0.31
CASP6 P55212 1/20 0.31
ADH1B P00325 1/20 0.30
FAAH O00519 1/20 0.30

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
SCHEMBL27896290 0.75 ADH1A (0.37) GSRADH1AFDPSADH1CMEN1
SCHEMBL31500792 0.70 ALDH1A1 (0.38) GSRADH1AFDPSMEN1KMT2A
SCHEMBL25610603 0.65 GSR (0.39) GSRADH1AADH1CMEN1KMT2A
SCHEMBL19940652 0.64 PHGDH (0.42) ADH1AFDPSADH1CALDH1A1PHGDH
SCHEMBL9009900 0.64
SCHEMBL1170432 0.64 PHGDH (0.42) ADH1AFDPSADH1CALDH1A1PHGDH
Nitric Acid SCHEMBL3458651 0.64 ALDH1A1 (0.47) GSRADH1AADH1CMEN1KMT2A
Nitric Acid SCHEMBL8147351 0.63 ALDH1A1 (0.60) GSRADH1AADH1CALDH1A1SMN1; SMN2
Nitric Acid SCHEMBL247273 0.63 ALDH1A1 (0.60) GSRADH1AADH1CALDH1A1SMN1; SMN2
Cyclohexanol SCHEMBL9019597 0.62 TSHR (0.56) GSRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3002757-A None JP disclosed
US-20060135485-A1 Microbicidal compositions and their use BASF AKTIENGESELLSCHAFT (DE) 2006-06-22 US disclosed
EP-1545213-A1 MICROBICIDAL COMPOSITIONS AND THEIR USE BASF Aktiengesellschaft (DE) 2005-06-29 EP disclosed
WO-2004030458-A1 MICROBICIDAL COMPOSITIONS AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 2004-04-15 WO disclosed
EP-0412588-B1 Epoxy prepreg LIGUSTICA S A (CH) 1998-10-07 EP disclosed
EP-0798321-A2 Epoxy prepreg Ligustica S.A. (CH) 1997-10-01 EP disclosed
EP-0332983-B1 Photopolymerisable printing plate for the manufacture of printing formes BASF AG (DE) 1994-06-15 EP disclosed
EP-0304122-B1 Thermosetting composition DSM NV (NL) 1993-11-18 EP disclosed
US-5196457-A DUAL CURE EPOXY PREPREG CONTAINING UNSATURATED POLYESTER DSM N.V. (NL) 1993-03-23 US disclosed
US-5177171-A SULFONIC ACID GROUP-CONTAINING POLYURETHANE AND A PHOTOSENSITIVE RESIN COMPOSITION CONTAINING THE SAME ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1993-01-05 US disclosed
EP-0242891-B1 SHEET MOULDING COMPOUND AND AN UPPER LAYER FOR IT DSM RESINS B.V. (NL) 1992-11-11 EP disclosed
EP-0274156-B1 TRANSPARENT PLATE FOR OPTICALLY READABLE INFORMATION CARRIER DSM N.V. (NL) 1991-03-13 EP disclosed
EP-0412588-A2 Epoxy prepreg Ligustica S.A. (CH) 1991-02-13 EP disclosed
JP-H032757-A PHOTOSENSITIVE RECORDING ELEMENT BASF AG 1991-01-09 JP disclosed
US-4948821-A Shrinkage resistance, gloss, colorability, strenth and weather resistance STAMICARBON B.V. (NL) 1990-08-14 US disclosed
US-4927701-A Sheet moulding compound and a top for it DSM RESINS B.V. (NL) 1990-05-22 US disclosed
EP-0339171-A1 Styrene emission inhibited unsatured polyester resin composition STAMICARBON B.V. (NL) 1989-11-02 EP disclosed
EP-0332983-A2 Photopolymerisable printing plate for the manufacture of printing formes BASF Aktiengesellschaft (DE) 1989-09-20 EP disclosed
EP-0304122-A1 Thermosetting composition DSM N.V. (NL) 1989-02-22 EP disclosed
EP-0242891-A2 Sheet moulding compound and an upper layer for it DSM RESINS B.V. (NL) 1987-10-28 EP disclosed