SCHEMBL28366194

SCHEMBL28366194

CCCCOC(=O)Cc1ccccc1CC(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
PPARD Q03181 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 6/20 0.47
HSD17B10 Q99714 4/20 0.47
KDM4E B2RXH2 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL28366064 0.90 ALDH1A1 (0.49) TSHRPPARDMEN1KMT2AALDH1A1
SCHEMBL28362405 0.90 TSHR (0.54) TSHRL3MBTL1TDP1MEN1KMT2A
SCHEMBL28366032 0.89 TSHR (0.53) TSHRL3MBTL1TDP1MEN1KMT2A
SCHEMBL1555236 0.87 ALDH1A1 (0.60) TSHRL3MBTL1TDP1MEN1KMT2A
SCHEMBL7407244 0.86 TSHR (0.50) TSHRL3MBTL1TDP1MEN1KMT2A
SCHEMBL28580608 0.84 NPSR1 (0.60) TSHRL3MBTL1TDP1PPARDMEN1
SCHEMBL28512693 0.84 TSHR (0.51) TSHRL3MBTL1TDP1MEN1KMT2A
SCHEMBL8431889 0.84 TSHR (0.51) TSHRL3MBTL1TDP1MEN1KMT2A
SCHEMBL26240068 0.83 CYP4F2 (0.45) PPARDMEN1KMT2AALDH1A1KDM4E
SCHEMBL28362403 0.83 PKM (0.54) TSHRL3MBTL1ALDH1A1HSD17B10KDM4E

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
CN-104854141-B Catalyst components for the polymerization of olefins 巴塞尔聚烯烃意大利有限公司 2020-03-10 CN disclosed