SCHEMBL4627445

SCHEMBL4627445

CCOC(=O)c1cc(CC)c(C)cc1C(=O)OCCCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRB2 P47870 1/20 0.39
ESR1 P03372 2/20 0.38
MAPK1 P28482 2/20 0.38
CYP3A4 P08684 2/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 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
SCHEMBL4625767 1.00 TSHR (0.39) TSHRTDP1L3MBTL1GABRA1GABRB1
SCHEMBL4625778 0.97 TSHR (0.41) TSHRTDP1L3MBTL1GABRA1GABRB1
SCHEMBL4627807 0.93 TSHR (0.48) TSHRTDP1L3MBTL1ESR1MAPK1
SCHEMBL4625728 0.93 TSHR (0.48) TSHRTDP1L3MBTL1ESR1MAPK1
SCHEMBL6910174 0.93 TSHR (0.42) TSHRTDP1L3MBTL1GABRA1GABRB1
SCHEMBL4626948 0.92 TSHR (0.43) TSHRTDP1L3MBTL1GABRA1GABRB1
SCHEMBL4625761 0.91 TSHR (0.43) TSHRTDP1L3MBTL1GABRA1GABRB1
SCHEMBL4625868 0.88 TSHR (0.45) TSHRTDP1L3MBTL1GABRA1GABRB1
SCHEMBL4625696 0.87 KMT2A (0.44) TSHRTDP1L3MBTL1GABRA1GABRB1
SCHEMBL4627190 0.86 CYP4F2 (0.40) TSHRTDP1L3MBTL1GABRA1GABRB1

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