SCHEMBL6232013

SCHEMBL6232013

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.52
GALR3 O60755 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GPR35 Q9HC97 4/20 0.50
CA2 P00918 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
ERN1 O75460 1/20 0.41
CASP6 P55212 1/20 0.40
AR P10275 1/20 0.39
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 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
SCHEMBL2032952 0.85 SMN1; SMN2 (0.49) SMN1; SMN2MEN1GALR3HTTKMT2A
SCHEMBL2829587 0.85 SMN1; SMN2 (0.49) SMN1; SMN2MEN1GALR3HTTKMT2A
SCHEMBL8812139 0.85 GPR35 (0.49) SMN1; SMN2MEN1GALR3HTTKMT2A
SCHEMBL2135932 0.83 GPR35 (0.64) SMN1; SMN2MEN1GALR3HTTKMT2A
SCHEMBL3083253 0.81 GPR35 (0.71) SMN1; SMN2MEN1KMT2AGPR35ERN1
SCHEMBL6232019 0.77 HTT (0.45) SMN1; SMN2MEN1GALR3HTTKMT2A
SCHEMBL30938109 0.76 CA2 (0.68) SMN1; SMN2MEN1GALR3HTTKMT2A
SCHEMBL47580 0.76 CA2 (0.68) SMN1; SMN2MEN1GALR3HTTKMT2A
SCHEMBL9905069 0.76 HTT (0.50) SMN1; SMN2MEN1GALR3HTTKMT2A
Lithium Ion SCHEMBL4307076 0.74 CA2 (0.54) SMN1; SMN2MEN1GALR3HTTKMT2A

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