SCHEMBL4626745

SCHEMBL4626745

CCOC(=O)c1cccc(Br)c1C(=O)OCCCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.45
TDP1 Q9NUW8 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP3A4 P08684 2/20 0.43
MAPK1 P28482 2/20 0.43
TP53 P04637 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ALDH1A1 P00352 8/20 0.43
LMNA P02545 1/20 0.43
HSD17B10 Q99714 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CDC25B P30305 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL4628447 0.95 TSHR (0.45) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL4628312 0.93 TSHR (0.55) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL4625759 0.90 ALDH1A1 (0.48) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL6908913 0.87 TSHR (0.47) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL4627373 0.87 TSHR (0.60) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL4627252 0.86 TSHR (0.46) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL4626397 0.85 TSHR (0.61) TSHRTDP1CYP3A4TP53CA12
SCHEMBL4627459 0.85 TSHR (0.45) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL4627875 0.85 TSHR (0.45) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL4628574 0.85 TSHR (0.45) TSHRTDP1L3MBTL1CYP3A4MAPK1

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