SCHEMBL27385335

SCHEMBL27385335

C=CC(=O)OC(=O)c1ccccc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.49
ALDH1A1 P00352 2/20 0.49
ABCG2 Q9UNQ0 1/20 0.47
CTSD P07339 1/20 0.47
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
XBP1 P17861 1/20 0.47
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
STAT3 P40763 1/20 0.45
HTT P42858 4/20 0.45
HSP90AA1 P07900 1/20 0.45
RAB9A P51151 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL5834545 0.85 KDM4E (0.50) HPGDALDH1A1MAPTESR1KMT2A
SCHEMBL446339 0.84 HPGD (0.59) HPGDALDH1A1ABCG2CTSDMAPT
SCHEMBL5069944 0.84 CYP3A4 (0.52) HPGDALDH1A1MAPTTSHRMAPK1
SCHEMBL29531388 0.84 CYP3A4 (0.52) HPGDALDH1A1MAPTTSHRMAPK1
SCHEMBL27537269 0.83 LMNA (0.52) HPGDALDH1A1MAPTKMT2ATSHR
SCHEMBL21678774 0.81 SMN1; SMN2 (0.50) HPGDALDH1A1ABCG2CTSDMAPT
SCHEMBL11639256 0.81 HPGD (0.50) HPGDALDH1A1ABCG2CTSDMAPT
SCHEMBL7469828 0.80 ABCG2 (0.64) ABCG2CTSDSTAT3HTTRAB9A
SCHEMBL31561740 0.80 ABCG2 (0.64) ABCG2CTSDSTAT3HTTRAB9A
SCHEMBL125031 0.80 HPGD (0.56) HPGDALDH1A1ABCG2CTSDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102453149-A Olefin polymerization catalyst component, olefin polymerization catalyst, and olefin polymerization method CHINA PETROLEUM & CHEMICAL 2012-05-16 CN claimed
CN-102453149-A Olefin polymerization catalyst component, olefin polymerization catalyst, and olefin polymerization method CHINA PETROLEUM & CHEMICAL 2012-05-16 CN disclosed
CN-1066715-C Bleaching compounds comprising substituted benzoyl caprolactam bleach activators PROCTER & GAMBLE (US) 2001-06-06 CN disclosed