SCHEMBL4626876

SCHEMBL4626876

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HDAC4 P56524 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
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 2/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 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
SCHEMBL4627203 0.87 TSHR (0.47) TSHRTP53TDP1ALDH1A1HSD17B10
SCHEMBL4625659 0.86 TSHR (0.44) TSHRHDAC4HDAC6CA12CA1
SCHEMBL4627299 0.85 TSHR (0.42) TSHRHDAC4HDAC6CA12CA1
SCHEMBL4628607 0.84 TSHR (0.41) TSHRHDAC4HDAC6CA12CA1
SCHEMBL4625535 0.84 TSHR (0.41) TSHRHTTNPSR1HDAC4HDAC6
SCHEMBL4628491 0.84 TSHR (0.41) TSHRTP53HTTNPSR1TDP1
SCHEMBL6908945 0.82 TSHR (0.42) TSHRTP53HDAC4HDAC6CA12
SCHEMBL4628067 0.81 ALDH1A1 (0.45) TSHRTP53HTTNPSR1TDP1
SCHEMBL4627147 0.81 METAP2 (0.42) TSHRTP53HTTNPSR1TDP1
SCHEMBL4641212 0.81 TSHR (0.41) TSHRTP53HTTNPSR1TDP1

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