SCHEMBL6233468

SCHEMBL6233468

CCCCc1ccc([N+](=O)[O-])c(O)c1O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
GPR35 Q9HC97 2/20 0.44
TYR P14679 2/20 0.42
ELANE P08246 2/20 0.40
CTSG P08311 2/20 0.40
ESR1 P03372 1/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.39
TXNRD1 Q16881 1/20 0.37

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
SCHEMBL27464077 0.87 ALDH1A1 (0.44) ALDH1A1TDP1GPR35TYRELANE
SCHEMBL9904970 0.87 ALDH1A1 (0.44) ALDH1A1TDP1GPR35TYRESR1
SCHEMBL2016391 0.85 GPR35 (0.56) ALDH1A1TDP1GPR35ELANECTSG
SCHEMBL12776822 0.84 GPR35 (0.52) GPR35
SCHEMBL27859645 0.81 TDP1 (0.42) ALDH1A1TDP1GPR35TYRELANE
SCHEMBL27613776 0.80 TYR (0.59) ALDH1A1TDP1TYRESR1MAPT
SCHEMBL6233474 0.80 ALDH1A1 (0.44) ALDH1A1TDP1TYRESR1MAPT
SCHEMBL982811 0.80 TYR (0.59) ALDH1A1TDP1TYRELANECTSG
SCHEMBL8402772 0.80 GPR35 (0.53) GPR35TYRELANECTSGESR1
SCHEMBL3197453 0.78 BID (0.55) MAPT

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 disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO disclosed