SCHEMBL4627306

SCHEMBL4627306

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

nearest known ligand 0.41

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
ALDH1A1 P00352 5/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 4/20 0.37
MAPT P10636 4/20 0.36
MEN1 O00255 2/20 0.36
ALOX15 P16050 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL4626501 0.87 TSHR (0.47) TSHRALDH1A1SMN1; SMN2HSD17B10LMNA
SCHEMBL4628179 0.86 TSHR (0.44) TSHRCA12CA1CA2CA7
SCHEMBL6908945 0.85 TSHR (0.42) TSHRCA12CA1CA2CA7
SCHEMBL4628277 0.84 CYP4F2 (0.44) TSHRCA12CA1CA2CA7
SCHEMBL4641212 0.84 TSHR (0.41) TSHRCA12CA1CA2CA7
SCHEMBL4625468 0.84 TSHR (0.41) TSHRCA12CA1CA2CA7
SCHEMBL4625674 0.83 KDM4E (0.38) TSHRCA12CA1CA2CA7
SCHEMBL4628532 0.82 TSHR (0.42) TSHRCA12CA1CA2CA7
SCHEMBL4627299 0.82 TSHR (0.42) TSHRCA12CA1CA2CA7
SCHEMBL4628628 0.82 KDM4E (0.38) 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