SCHEMBL4628607

SCHEMBL4628607

CCOC(=O)c1ccc(CC(C)(C)C)c(Cl)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 2/20 0.37
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAPK1 P28482 1/20 0.36
GRM6 O15303 1/20 0.36
METTL3 Q86U44 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36

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
SCHEMBL4628666 0.87 TSHR (0.47) TSHRKDM4EALDH1A1HSD17B10LMNA
SCHEMBL4625659 0.86 TSHR (0.44) TSHRCA12CA1CA2CA7
SCHEMBL4627299 0.85 TSHR (0.42) TSHRCA12CA1CA2CA7
SCHEMBL4626876 0.84 TSHR (0.41) TSHRCA12CA1CA2CA7
SCHEMBL4625535 0.84 TSHR (0.41) TSHRCA12CA1CA2CA7
SCHEMBL4628491 0.84 TSHR (0.41) TSHRCA12CA1CA2CA7
SCHEMBL6908945 0.82 TSHR (0.42) TSHRCA12CA1CA2CA7
SCHEMBL4628292 0.81 ALDH1A1 (0.45) TSHRCA12CA1CA2CA7
SCHEMBL4628277 0.81 CYP4F2 (0.44) TSHRCA12CA1CA2CA7
SCHEMBL4626647 0.81 TSHR (0.41) TSHRCA12CA1CA2CA7

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