SCHEMBL4627461

SCHEMBL4627461

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
TP53 P04637 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
METAP2 P50579 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GRIN2D O15399 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 3/20 0.34

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
SCHEMBL4628088 0.90 TSHR (0.44) TSHRTP53TDP1CA2METAP2
SCHEMBL4627872 0.88 TSHR (0.40) TSHRTP53TDP1CA12CA1
SCHEMBL4627147 0.87 METAP2 (0.42) TSHRTP53TDP1HTTNPSR1
SCHEMBL4627253 0.86 TSHR (0.39) TSHRTP53TDP1CA12CA1
SCHEMBL4626751 0.85 TSHR (0.38) TSHRTP53TDP1HTTNPSR1
SCHEMBL4627876 0.85 TSHR (0.38) TSHRTP53TDP1HTTNPSR1
SCHEMBL4628570 0.85 ALOX15 (0.38) TSHRTP53TDP1CA12CA1
SCHEMBL4628649 0.85 TSHR (0.40) TSHRTP53TDP1CA12CA1
SCHEMBL4628067 0.85 ALDH1A1 (0.45) TSHRTP53TDP1HTTNPSR1
SCHEMBL4627103 0.84 TSHR (0.39) TSHRTP53TDP1HTTNPSR1

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