SCHEMBL6550574

SCHEMBL6550574

O=C(O)CC(CC(=O)O)c1ccc([N+](=O)[O-])o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.46
GRM6 O15303 1/20 0.46
GRM4 Q14833 1/20 0.46
L3MBTL1 Q9Y468 6/20 0.45
TDP1 Q9NUW8 4/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 7/20 0.41
ALDH1A1 P00352 5/20 0.41
HTT P42858 4/20 0.41
GLO1 Q04760 1/20 0.41
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39

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
SCHEMBL11776831 0.81 GRM8 (0.42) GRM8GRM6GRM4L3MBTL1TDP1
SCHEMBL7113969 0.77 GRM8 (0.49) GRM8GRM6GRM4L3MBTL1TDP1
SCHEMBL7038633 0.74 LMNA (0.46) GRM8GRM6GRM4L3MBTL1TDP1
SCHEMBL27863450 0.71 LMNA (0.56) L3MBTL1TDP1KMT2APOLBLMNA
SCHEMBL6741018 0.71 GLO1 (0.45) GRM8GRM6GRM4L3MBTL1TDP1
SCHEMBL10028335 0.70 LMNA (0.46) GRM8GRM6GRM4L3MBTL1TDP1
SCHEMBL15200988 0.70 LMNA (0.58) L3MBTL1TDP1KMT2APOLBLMNA
SCHEMBL6550567 0.69 GLO1 (0.51) GRM8GRM6GRM4L3MBTL1TDP1
SCHEMBL11731878 0.69 LMNA (0.53) L3MBTL1TDP1KMT2APOLBLMNA
SCHEMBL27853220 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483442-A2 NOVEL CATALYTIC ACTIVITIES OF OXIDOREDUCTASES FOR OXIDATION AND/OR BLEACHING Call, Krimhild (DE) 2004-12-08 EP disclosed
WO-2003061550-A2 NOVEL CATALYTIC ACTIVITIES OF OXIDOREDUCTASES FOR OXIDATION AND/OR BLEACHING CALL, KRIMHILD (DE) 2003-07-31 WO disclosed
US-3956312-A ANTISECRETORY AGENT EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1976-05-11 US disclosed