SCHEMBL4628686

SCHEMBL4628686

CCOC(=O)c1cc(C)c(Cl)c(CCCC(C)C)c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.38
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA12 O43570 3/20 0.36
CA9 Q16790 3/20 0.36
CA7 P43166 2/20 0.36
CA14 Q9ULX7 2/20 0.36
METTL3 Q86U44 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
BAZ2A Q9UIF9 1/20 0.35
TSHR P16473 2/20 0.35
GRIN2D O15399 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
MAPK1 P28482 1/20 0.33
GPR35 Q9HC97 1/20 0.33
PDE3B Q13370 1/20 0.33

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
SCHEMBL4628087 0.91 TSHR (0.40) TSHRMAPK1CYP3A4SMN1; SMN2TDP1
SCHEMBL4628675 0.89 ALOX15 (0.37) ALOX15CA1CA2CA12CA9
SCHEMBL4628281 0.88 ALOX15 (0.37) ALOX15CA1CA2CA12CA9
SCHEMBL4625772 0.86 GRIN2D (0.38) ALOX15CA1CA2CA12CA9
SCHEMBL4625662 0.86 ALDH1A1 (0.39) CA1CA2CA12CA9CA7
SCHEMBL4628151 0.85 ALOX15 (0.36) ALOX15CA1CA2CA12CA9
SCHEMBL4628048 0.85 ALOX15 (0.38) ALOX15CA1CA2CA12CA9
SCHEMBL4627194 0.84 ALOX15 (0.37) ALOX15CA1CA2CA12CA9
SCHEMBL4627448 0.81 ALDH1A1 (0.36) ALOX15CA1CA2CA12CA9
SCHEMBL4627365 0.81 TSHR (0.36) ALOX15CA1CA2CA12CA9

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