SCHEMBL18535802

SCHEMBL18535802

CC(O)(c1ccc(O)c(O)c1)c1ccc([N+](=O)[O-])c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.50
HPGD P15428 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 3/20 0.47
ALOX15 P16050 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 6/20 0.44
SIRT6 Q8N6T7 1/20 0.42
TP53 P04637 2/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
SNCA P37840 2/20 0.42
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.41
CYP2C19 P33261 1/20 0.41
PHPT1 Q9NRX4 1/20 0.41
CYP3A4 P08684 2/20 0.41

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
SCHEMBL1027772 0.83 GPR35 (0.56) GPR35HPGDALDH1A1HSD17B10ALOX15
SCHEMBL31363714 0.83 GPR35 (0.56) GPR35HPGDALDH1A1HSD17B10ALOX15
SCHEMBL6823350 0.76 GPR35 (0.56) GPR35HPGDALDH1A1ALOX15TDP1
SCHEMBL1024910 0.76 GPR35 (0.56) GPR35HPGDALDH1A1ALOX15TDP1
SCHEMBL29666479 0.73 GPR35 (0.65) GPR35HPGDALDH1A1HSD17B10ALOX15
SCHEMBL445240 0.73 ALDH1A1 (0.56) GPR35HPGDALDH1A1HSD17B10ALOX15
SCHEMBL69884 0.73 GPR35 (0.65) GPR35HPGDALDH1A1HSD17B10ALOX15
SCHEMBL4474221 0.71 GPR35 (0.62) GPR35HPGDALDH1A1HSD17B10ALOX15
SCHEMBL17028799 0.71 GPR35 (0.62) GPR35HPGDALDH1A1HSD17B10ALOX15
SCHEMBL8061160 0.70 GPR35 (0.45) GPR35HPGDALDH1A1HSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3133444-A1 CHEMICALLY AMPLIFIED RESIST MATERIAL, PATTERN-FORMING METHOD, COMPOUND, AND PRODUCTION METHOD OF COMPOUND OSAKA UNIVERSITY (JP) 2017-02-22 EP disclosed