SCHEMBL4628671

SCHEMBL4628671

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
HTT P42858 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 3/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL4627546 0.87 TSHR (0.49) TSHRALDH1A1HSD17B10SMN1; SMN2MAPK1
SCHEMBL4626987 0.86 TSHR (0.44) TSHRCA12CA1CA2CA7
SCHEMBL4627154 0.85 TSHR (0.46) TSHRCA12CA1CA2CA7
SCHEMBL4626640 0.83 TSHR (0.44) TSHRCA12CA1CA2CA7
SCHEMBL4625855 0.83 TSHR (0.44) TSHRCA12CA1CA2CA7
SCHEMBL4627467 0.83 TSHR (0.44) TSHRCA12CA1CA2CA7
SCHEMBL4625535 0.81 TSHR (0.41) TSHRCA12CA1CA2CA7
SCHEMBL6911128 0.80 TSHR (0.44) TSHRCA12CA1CA2CA7
SCHEMBL4626410 0.80 TSHR (0.41) TSHRCA12CA1CA2CA7
SCHEMBL4628268 0.79 TSHR (0.40) 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