SCHEMBL6063828

SCHEMBL6063828

CC(C)OC(=O)C(C(=O)OC(C)C)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.36
THRB P10828 1/20 0.36
ALOX5 P09917 1/20 0.35
HCAR2 Q8TDS4 1/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 3/20 0.32
LMNA P02545 3/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
HSD17B10 Q99714 1/20 0.32
EPHX2 P34913 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
CA12 O43570 3/20 0.30
CA1 P00915 3/20 0.30
CA2 P00918 3/20 0.30

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
SCHEMBL6063948 0.91 THRB (0.42) TSHRL3MBTL1THRBTP53ALDH1A1
SCHEMBL7667350 0.91 THRB (0.42) TSHRTHRBTP53ALDH1A1NPSR1
SCHEMBL29220277 0.79 TSHR (0.37) TSHRL3MBTL1THRBHCAR2ALDH1A1
SCHEMBL27926754 0.77 THRB (0.55) TSHRL3MBTL1THRBTP53ALDH1A1
SCHEMBL9209640 0.73 L3MBTL1 (0.61) TSHRL3MBTL1ALDH1A1LMNAKDM4E
SCHEMBL28842009 0.71 TSHR (0.39) TSHRTHRBTP53ALDH1A1KDM4E
SCHEMBL21807791 0.70 DPP4 (0.38) TSHRLMNA
SCHEMBL10105672 0.70 TSHR (0.36) TSHRALOX5CHRNB2CHRNB4CHRNA3
SCHEMBL6063003 0.70 L3MBTL1 (0.44) TSHRL3MBTL1HCAR2ALDH1A1LMNA
SCHEMBL16732257 0.70 TSHR (0.37) TSHRTHRBTP53ALDH1A1LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1283673-C Solid catalyst component for olefin polymerization IDEMITSU PETROCHEMICAL CO (JP) 2006-11-08 CN disclosed
US-7081427-B2 Solid catalyst component for olefin polymerization IDEMITSU KOSAN CO., LTD. (JP) 2006-07-25 US disclosed
CN-1561346-A Solid catalyst component for olefin polymerization IDEMITSU PETROCHEMICAL CO (JP) 2005-01-05 CN disclosed
US-20040102310-A1 Solid catalyst component for olefin polymerization IDEMITSU KOSAN CO., LTD. (JP) 2004-05-27 US disclosed
EP-1396503-A1 SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2004-03-10 EP disclosed