SCHEMBL4627104

SCHEMBL4627104

Cc1ccc(C(=O)OC(C)(C)C)c(C(=O)O)c1CC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GRM6 O15303 1/20 0.34
▸ DPP4 P27487 5/20 0.33
▸ DPP8 Q6V1X1 5/20 0.33
▸ DPP9 Q86TI2 5/20 0.33
▸ CRHBP P24387 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ SLC7A5 Q01650 1/20 0.31
▸ IGF1R P08069 1/20 0.30
▸ ADRA1A P35348 1/20 0.30
▸ ADRA1B P35368 1/20 0.30

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
SCHEMBL4628179 0.86 TSHR (0.44) KDM4EL3MBTL1
SCHEMBL4627081 0.84 NR1H2 (0.33) KDM4EL3MBTL1GRM6DPP4DPP8
SCHEMBL4628288 0.82 IGF1R (0.34) KDM4EL3MBTL1GRM6DPP4DPP8
SCHEMBL4626909 0.80 TSHR (0.48) KDM4EL3MBTL1CYP2C9CYP2C19
SCHEMBL4627999 0.80 GRM6 (0.36) KDM4EL3MBTL1GRM6CRHBPCRHR2
SCHEMBL2689910 0.77 GRM6 (0.40) L3MBTL1GRM6CRHBPCRHR2EGFR
SCHEMBL6272306 0.75 KDM4E (0.37) KDM4EL3MBTL1DPP4DPP8DPP9
SCHEMBL27468466 0.75 GRM6 (0.41) GRM6CRHBPCRHR2EGFR
SCHEMBL6908945 0.73 TSHR (0.42) DPP4DPP8DPP9
Ethane SCHEMBL4642769 0.73 KDM4E (0.43) KDM4EL3MBTL1GRM6CYP2C9SLC7A5

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
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