SCHEMBL6063003

SCHEMBL6063003

CCCOC(=O)C(C(=O)OCCC)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 2/20 0.40
PPM1B O75688 1/20 0.40
PTPN1 P18031 1/20 0.40
PPP1CC P36873 1/20 0.40
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CHRNA4 P43681 2/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
LMNA P02545 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR3A P46098 1/20 0.34
KCNH2 Q12809 1/20 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
SCHEMBL6062973 0.92 TSHR (0.44) L3MBTL1TSHRPPM1BPTPN1PPP1CC
SCHEMBL7667036 0.92 TSHR (0.48) L3MBTL1TSHRALDH1A1NPSR1LMNA
SCHEMBL9209640 0.82 L3MBTL1 (0.61) L3MBTL1TSHRALDH1A1NPSR1LMNA
SCHEMBL6058467 0.80 TSHR (0.52) L3MBTL1TSHRALDH1A1NPSR1
SCHEMBL7659987 0.79 TSHR (0.55) L3MBTL1TSHRALDH1A1NPSR1
SCHEMBL7654322 0.77 TSHR (0.57) TSHR
SCHEMBL7658530 0.77 TSHR (0.57) TSHR
SCHEMBL7662341 0.77 TSHR (0.57) TSHR
SCHEMBL6839655 0.77 L3MBTL1 (0.56) L3MBTL1TSHRALDH1A1NPSR1LMNA
SCHEMBL27628754 0.76 TSHR (0.59) L3MBTL1TSHRALDH1A1NPSR1

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