SCHEMBL8977448

SCHEMBL8977448

COc1ccc([N+](=O)[O-])cc1OC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.58
TDP1 Q9NUW8 1/20 0.57
PKM P14618 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
RECQL P46063 1/20 0.54
VCP P55072 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
EPHX1 P07099 1/20 0.52
GAA P10253 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
BLM P54132 1/20 0.52
CYP19A1 P11511 1/20 0.51
PTGS2 P35354 1/20 0.51
LMNA P02545 1/20 0.50
ATM Q13315 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
SCHEMBL1144020 0.94 VCP (0.59) HTTTDP1PKMSMN1; SMN2RECQL
SCHEMBL11341567 0.92 RECQL (0.58) HTTTDP1PKMSMN1; SMN2RECQL
SCHEMBL13041709 0.86 HTT (0.57) HTTTDP1PKMSMN1; SMN2MEN1
SCHEMBL823705 0.85 RECQL (0.56) TDP1SMN1; SMN2RECQLMEN1KMT2A
SCHEMBL30318004 0.85 RECQL (0.56) TDP1SMN1; SMN2RECQLMEN1KMT2A
Methyl Alcohol SCHEMBL27770206 0.84 HTT (0.68) HTTTDP1PKMSMN1; SMN2MEN1
SCHEMBL8076059 0.84 HTT (0.55) HTTTDP1PKMSMN1; SMN2MEN1
SCHEMBL527567 0.84 HTT (0.72) HTTTDP1PKMSMN1; SMN2MEN1
SCHEMBL29441283 0.84 HTT (0.72) HTTTDP1PKMSMN1; SMN2MEN1
SCHEMBL5062448 0.83 HTT (0.54) HTTTDP1PKMSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3128838-B1 PLANT STIMULATORS, USE THEREOF AND METHOD OF PLANT STIMULATION AGRA GROUP AS (CZ) 2020-04-29 EP disclosed
EP-3128838-A1 PLANT STIMULATORS, USE THEREOF AND METHOD OF PLANT STIMULATION Agra Group, A.S. (CZ) 2017-02-15 EP disclosed
WO-2015154732-A1 PLANT STIMULATORS, USE THEREOF AND METHOD OF PLANT STIMULATION AGRA GROUP A.S. (CZ) 2015-10-15 WO disclosed
US-5587509-A Caged caboxyl compounds and use thereof CORNELL RESEARCH FOUNDATION, INC. (US) 1996-12-24 US disclosed
US-5430175-A Caged carboxyl compounds and use thereof CORNELL RESEARCH FOUNDATION, INC. (US) 1995-07-04 US disclosed
WO-1995015305-A1 CAGED CARVOXYL COMPOUNDS AND THEIR USE IN CHEMICAL KINETIC INVESTIGATION OF NEUROTRANSMITTER RECEPTORS CORNELL RESEARCH FOUNDATION, INC. (US) 1995-06-08 WO disclosed