SCHEMBL4853457

SCHEMBL4853457

C1=C(c2ccccc2)C2CCC1C2.COC(=O)C1=CC2CCC1C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 11/20 0.46
SLC6A4 P31645 4/20 0.36
FGFR1 P11362 1/20 0.36
SRC P12931 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
FGFR3 P22607 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TSHR P16473 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 2/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3926283 0.84 SLC6A3 (0.40) SLC6A3SLC6A4ALDH1A1HPGDKDM4E
SCHEMBL996860 0.84 SLC6A3 (0.40) SLC6A3SLC6A4ALDH1A1HPGDKDM4E
SCHEMBL29723645 0.84 SLC6A3 (0.40) SLC6A3SLC6A4ALDH1A1HPGDKDM4E
SCHEMBL31064743 0.84 SLC6A3 (0.40) SLC6A3SLC6A4ALDH1A1HPGDKDM4E
SCHEMBL29723671 0.84 SLC6A3 (0.40) SLC6A3SLC6A4ALDH1A1HPGDKDM4E
SCHEMBL4853437 0.82 TSHR (0.43) ALDH1A1TSHRHSD17B10LMNASMN1; SMN2
SCHEMBL2356043 0.82 SLC6A3 (0.38) SLC6A3SLC6A4ALDH1A1HPGDKDM4E
SCHEMBL2943930 0.81 SLC6A3 (0.43) SLC6A3SLC6A4ALDH1A1HPGDKDM4E
SCHEMBL4507498 0.80 NPC1 (0.34) SLC6A3ALDH1A1
SCHEMBL87884 0.80 NPC1 (0.34) SLC6A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442752-B2 Nobonene-ester based addition polymer and method for preparing the same LG CHEM, LTD. (KR) 2008-10-28 US disclosed
EP-1521791-B1 NOBONENE-ESTER BASED ADDITION POLYMER AND METHOD FOR PREPARING THE SAME LG CHEMICAL LTD (KR) 2007-01-10 EP disclosed
EP-1521791-A4 NOBONENE-ESTER BASED ADDITION POLYMER AND METHOD FOR PREPARING THE SAME LG CHEMICAL LTD (KR) 2006-05-31 EP disclosed
EP-1521791-A1 NOBONENE-ESTER BASED ADDITION POLYMER AND METHOD FOR PREPARING THE SAME LG Chem, Ltd. (KR) 2005-04-13 EP disclosed
US-20050010006-A1 Nobonene-ester based addition polymer and method for preparing the same LG CHEM, LTD. (KR) 2005-01-13 US disclosed
WO-2004007587-A1 NOBONENE-ESTER BASED ADDITION POLYMER AND METHOD FOR PREPARING THE SAME LG CHEM, LTD. (KR) 2004-01-22 WO disclosed