SCHEMBL8669891

SCHEMBL8669891

COC(C(=O)O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
ACP3 P15309 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
HPGD P15428 1/20 0.50
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 2/20 0.48
GRM8 O00222 3/20 0.47
GRM4 Q14833 3/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
GRM6 O15303 2/20 0.46

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
SCHEMBL8666394 1.00 ALDH1A1 (0.64) ALDH1A1ACP3L3MBTL1KMT2AMEN1
SCHEMBL5037830 1.00 ALDH1A1 (0.64) ALDH1A1ACP3L3MBTL1KMT2AMEN1
SCHEMBL5042702 0.87 ALDH1A1 (0.62) ALDH1A1ACP3L3MBTL1KMT2AMEN1
SCHEMBL1095030 0.84 ATM (0.55) ALDH1A1ACP3L3MBTL1KMT2AMEN1
SCHEMBL6676859 0.84 ALDH1A1 (0.59) ALDH1A1ACP3L3MBTL1KMT2AMEN1
SCHEMBL2191046 0.83 ALDH1A1 (0.55) ALDH1A1L3MBTL1KMT2AMEN1HPGD
SCHEMBL2387750 0.81 KMT2A (0.54) ALDH1A1L3MBTL1KMT2AMEN1HPGD
SCHEMBL8582041 0.80 AKR1C3 (0.67) ALDH1A1ACP3L3MBTL1KMT2AMEN1
SCHEMBL307016 0.80 AKR1C3 (0.67) ALDH1A1ACP3L3MBTL1KMT2AMEN1
SCHEMBL3992888 0.80 AKR1C3 (0.67) ALDH1A1ACP3L3MBTL1KMT2AMEN1

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-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-5707991-A TREATMENT OF NERVOUS SYSTEM DISORDERS, PARKINSON'S DISEASE RHONE-POULENC RORER S.A. (FR) 1998-01-13 US disclosed