SCHEMBL7805350

SCHEMBL7805350

O=[N+]([O-])c1ccccc1C1(O)CCCO1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
GPR35 Q9HC97 1/20 0.37
HSD17B10 Q99714 1/20 0.36
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PLAU P00749 1/20 0.34

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
SCHEMBL632435 0.74 LMNA (0.43) GPR35HSD17B10MAPTALDH1A1CA1
SCHEMBL9017957 0.72 NPC1 (0.41) MAPK1MAPTALDH1A1CA1CA2
SCHEMBL13281083 0.72 HSD17B10 (0.48) MAPK1GPR35HSD17B10MAPTALDH1A1
SCHEMBL5368690 0.70 AKR1C1 (0.49) MAPK1GPR35MAPTALDH1A1LMNA
SCHEMBL9125609 0.69 ALDH1A1 (0.43) MAPK1GPR35HSD17B10MAPTALDH1A1
SCHEMBL5370966 0.69 ALDH1A1 (0.40) MAPK1GPR35HSD17B10MAPTALDH1A1
SCHEMBL30937695 0.68 HSD17B10 (0.44) MAPK1GPR35HSD17B10ALDH1A1TDP1
SCHEMBL5369495 0.68 AKR1C1 (0.46) MAPK1GPR35HSD17B10MAPTALDH1A1
SCHEMBL28114646 0.68 ALDH1A1 (0.44) GPR35HSD17B10MAPTALDH1A1LMNA
SCHEMBL30937544 0.68 AKR1C1 (0.46) MAPK1GPR35HSD17B10MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0604705-B1 4-Hydroxy-2'-nitrobutyrophenone and tetrahydro-2-(o-nitrophenyl)-2-furanol useful as intermediates in the preparation of a crop-selective herbicide AMERICAN CYANAMID CO (US) 1996-10-09 EP claimed
EP-0604705-A1 4-Hydroxy-2'-nitrobutyrophenone and tetrahydro-2-(o-nitrophenyl)-2-furanol useful as intermediates in the preparation of a crop-selective herbicide AMERICAN CYANAMID COMPANY (US) 1994-07-06 EP claimed
US-5281726-A 4-hydroxy-2'-nitrobutyrophenone and tetrahydro-2-(o-nitrophenyl)-2-furanol useful as intermediates in the preparation of a crop-selective herbicide AMERICAN CYANAMID COMPANY (US) 1994-01-25 US claimed
JP-6199742-A None JP disclosed
EP-0852224-B1 Aryne intermediates towards the preparation of herbicidal sulfamoyl urea and a process for their preparation AMERICAN CYANAMID CO (US) 2001-10-31 EP disclosed
CN-1055678-C 4-hydroxy-2'-nitrobutyrophenone and tetrahydro-2-(o-nitrophenyl-2-furanol useful as intermediates in the preparation of a crop-selective herbicide AMERICAN CYANAMID CO (US) 2000-08-23 CN disclosed
EP-0604705-B1 4-Hydroxy-2'-nitrobutyrophenone and tetrahydro-2-(o-nitrophenyl)-2-furanol useful as intermediates in the preparation of a crop-selective herbicide AMERICAN CYANAMID CO (US) 1996-10-09 EP disclosed
EP-0604705-B1 4-Hydroxy-2'-nitrobutyrophenone and tetrahydro-2-(o-nitrophenyl)-2-furanol useful as intermediates in the preparation of a crop-selective herbicide AMERICAN CYANAMID CO (US) 1996-10-09 EP disclosed
JP-H06199742-A 4-HYDROXY-2'-NITROBUTYROPHENONE AND TETRAHYDRO-2-(O-NITROPHENYL)-2-FURANOL AMERICAN CYANAMID CO 1994-07-19 JP disclosed
EP-0604705-A1 4-Hydroxy-2'-nitrobutyrophenone and tetrahydro-2-(o-nitrophenyl)-2-furanol useful as intermediates in the preparation of a crop-selective herbicide AMERICAN CYANAMID COMPANY (US) 1994-07-06 EP disclosed
EP-0604705-A1 4-Hydroxy-2'-nitrobutyrophenone and tetrahydro-2-(o-nitrophenyl)-2-furanol useful as intermediates in the preparation of a crop-selective herbicide AMERICAN CYANAMID COMPANY (US) 1994-07-06 EP disclosed
EP-0604705-A1 4-Hydroxy-2'-nitrobutyrophenone and tetrahydro-2-(o-nitrophenyl)-2-furanol useful as intermediates in the preparation of a crop-selective herbicide AMERICAN CYANAMID COMPANY (US) 1994-07-06 EP disclosed
US-5281726-A 4-hydroxy-2'-nitrobutyrophenone and tetrahydro-2-(o-nitrophenyl)-2-furanol useful as intermediates in the preparation of a crop-selective herbicide AMERICAN CYANAMID COMPANY (US) 1994-01-25 US disclosed
US-5281726-A 4-hydroxy-2'-nitrobutyrophenone and tetrahydro-2-(o-nitrophenyl)-2-furanol useful as intermediates in the preparation of a crop-selective herbicide AMERICAN CYANAMID COMPANY (US) 1994-01-25 US disclosed
US-5281726-A 4-hydroxy-2'-nitrobutyrophenone and tetrahydro-2-(o-nitrophenyl)-2-furanol useful as intermediates in the preparation of a crop-selective herbicide AMERICAN CYANAMID COMPANY (US) 1994-01-25 US disclosed