SCHEMBL6232015

SCHEMBL6232015

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.42
AR P10275 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
MET P08581 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ERN1 O75460 1/20 0.35
VCAM1 P19320 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
NR3C2 P08235 1/20 0.34
TSHR P16473 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
SCHEMBL1185557 0.86 GPR35 (0.53) GPR35NPSR1ALDH1A1HTTMET
SCHEMBL27883380 0.82 SIRT6 (0.48) GPR35ALDH1A1LMNAMAPTERN1
SCHEMBL23273444 0.80 NPSR1 (0.36) ARNPSR1ALDH1A1HTTMET
SCHEMBL9747677 0.80 EGFR (0.43) GPR35NPSR1ALDH1A1HTTLMNA
SCHEMBL5390806 0.79 NPSR1 (0.35) NPSR1ALDH1A1HTTMETLMNA
SCHEMBL4748764 0.78 ALDH1A1 (0.53) NPSR1ALDH1A1HTTLMNAMAPT
SCHEMBL31150407 0.78 ALDH1A1 (0.53) NPSR1ALDH1A1HTTLMNAMAPT
SCHEMBL557153 0.77 VCAM1 (0.46) NPSR1ALDH1A1HTTMETLMNA
SCHEMBL8770713 0.77 KMT2A (0.42) NPSR1ALDH1A1HTTMETMAPT
SCHEMBL1316259 0.76 LMNA (0.51) LMNAMAPT

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