SCHEMBL6232019

SCHEMBL6232019

CC(C)(C)c1ccc([N+](=O)[O-])c(OC(=O)O)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
MEN1 O00255 1/20 0.45
GALR3 O60755 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GPR35 Q9HC97 2/20 0.38
NR1H4 Q96RI1 3/20 0.38
GLRA3 O75311 1/20 0.37
GLRB P48167 1/20 0.37
AR P10275 1/20 0.36
TPMT P51580 1/20 0.35
CASP6 P55212 1/20 0.35
DTYMK P23919 1/20 0.35
CA2 P00918 1/20 0.34
GABRA1 P14867 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
SCHEMBL5589596 0.81 GLRA3 (0.46) SMN1; SMN2ALDH1A1TDP1GLRA3GLRB
SCHEMBL5587447 0.78 MEN1 (0.50) HTTMEN1GALR3KMT2ASMN1; SMN2
SCHEMBL6232013 0.77 SMN1; SMN2 (0.52) HTTMEN1GALR3KMT2ASMN1; SMN2
SCHEMBL6229518 0.75 GLRA3 (0.41) SMN1; SMN2ALDH1A1TDP1NR1H4GLRA3
SCHEMBL2032952 0.74 SMN1; SMN2 (0.49) HTTMEN1GALR3KMT2ASMN1; SMN2
SCHEMBL10977680 0.73 KMT2A (0.57) HTTMEN1GALR3KMT2ASMN1; SMN2
SCHEMBL28295087 0.73 ALDH1A1 (0.44) HTTMEN1GALR3KMT2ASMN1; SMN2
SCHEMBL10985384 0.73 KMT2A (0.57) HTTMEN1GALR3KMT2ASMN1; SMN2
SCHEMBL6233474 0.72 ALDH1A1 (0.44) KMT2AALDH1A1TDP1
SCHEMBL47845 0.72 TSHR (0.46) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP claimed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO claimed