SCHEMBL4627299

SCHEMBL4627299

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
CA14 Q9ULX7 3/20 0.40
ADORA3 P0DMS8 3/20 0.39
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAOA P21397 1/20 0.36
CDC25B P30305 1/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 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
SCHEMBL6908945 0.92 TSHR (0.42) TSHRCA12CA1CA2CA7
SCHEMBL4625659 0.87 TSHR (0.44) TSHRCA12CA1CA2CA7
SCHEMBL4628554 0.87 TSHR (0.48) TSHRALDH1A1HSD17B10LMNACYP1A2
SCHEMBL4628288 0.86 IGF1R (0.34) TSHRALDH1A1DPP4DPP8DPP9
SCHEMBL4628607 0.85 TSHR (0.41) TSHRCA12CA1CA2CA7
SCHEMBL4626876 0.85 TSHR (0.41) TSHRCA12CA1CA2CA7
SCHEMBL4628491 0.85 TSHR (0.41) TSHRCA12CA1CA2CA7
SCHEMBL4625535 0.85 TSHR (0.41) TSHRCA12CA1CA2CA7
SCHEMBL4628179 0.84 TSHR (0.44) TSHRCA12CA1CA2CA7
SCHEMBL4627306 0.82 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