SCHEMBL4626601

SCHEMBL4626601

CCOC(=O)c1ccc(C(C)(C)C)cc1C(=O)OCCCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.42
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 4/20 0.40
CYP3A4 P08684 2/20 0.40
TP53 P04637 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
ALDH1A1 P00352 5/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL4627171 0.95 TSHR (0.42) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL4627407 0.93 TSHR (0.51) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL4626865 0.90 TSHR (0.44) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL4626409 0.87 TSHR (0.56) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL4625676 0.85 TSHR (0.56) TSHRTDP1L3MBTL1MAPK1TP53
SCHEMBL4640051 0.84 ALDH1A1 (0.54) TSHRTDP1MAPK1TP53TRPV1
SCHEMBL4640538 0.84 TSHR (0.46) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL4628651 0.83 GABRA1 (0.48) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL4625920 0.83 TSHR (0.61) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL4628235 0.82 TSHR (0.51) TSHRTDP1L3MBTL1MAPK1CYP3A4

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