SCHEMBL4628550

SCHEMBL4628550

CCCCOC(=O)c1cccc(CC)c1C(=O)OCC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
MAPK1 P28482 3/20 0.51
CYP3A4 P08684 3/20 0.51
TP53 P04637 1/20 0.51
ALDH1A1 P00352 6/20 0.50
LMNA P02545 3/20 0.50
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
CYP1A2 P05177 3/20 0.43
CYP2C19 P33261 3/20 0.43
ESR1 P03372 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP2D6 P10635 1/20 0.43
NR1H2 P55055 1/20 0.43
RNASEL Q05823 1/20 0.43
TRPA1 O75762 2/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL4628632 0.91 TSHR (0.43) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL4626630 0.91 TSHR (0.68) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL27816268 0.88 ALDH1A1 (0.56) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL4627220 0.87 TSHR (0.56) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL4626823 0.87 TSHR (0.62) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL4627291 0.87 TSHR (0.51) TSHRTDP1CYP3A4TP53ALDH1A1
SCHEMBL21113714 0.86 TSHR (0.69) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL6904241 0.86 TSHR (0.55) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL4627303 0.86 TSHR (0.55) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL4627202 0.86 TSHR (0.55) TSHRL3MBTL1TDP1MAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1209172-B1 SOLID CATALYST COMPONENT AND CATALYST FOR OLEFIN POLYMERIZATION TOHO TITANIUM CO LTD (JP) 2008-07-02 EP disclosed
US-6770586-B2 Solid catalyst component and catalyst for olefins polymerization TOHO TITANIUM CO., LTD. (JP) 2004-08-03 US disclosed
US-20030130109-A1 Solid catalyst component and catalyst for olefins polymerization TOHO TITANIUM CO., LTD (JP) 2003-07-10 US disclosed
EP-1209172-A1 SOLID CATALYST COMPONENT AND CATALYST FOR OLEFIN POLYMERIZATION Toho Titanium Co., Ltd. (JP) 2002-05-29 EP disclosed