SCHEMBL4853437

SCHEMBL4853437

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CHRM2 P08172 11/20 0.41
CHRM4 P08173 11/20 0.41
CHRM5 P08912 11/20 0.41
CHRM1 P11229 11/20 0.41
CHRM3 P20309 11/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 2/20 0.40
MAPK1 P28482 2/20 0.40
CNR2 P34972 1/20 0.40
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39
EGFR P00533 1/20 0.38

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
SCHEMBL2350191 0.87 TSHR (0.44) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL30612333 0.87 TSHR (0.44) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL4331067 0.85 TSHR (0.40) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL4852053 0.82 TSHR (0.40) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL4853457 0.82 SLC6A3 (0.46) TSHRALDH1A1SMN1; SMN2HSD17B10LMNA
SCHEMBL10593447 0.82 ALDH1A1 (0.47) TSHRALDH1A1CYP3A4MAPK1TP53
SCHEMBL4851503 0.79 TSHR (0.38) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL3165567 0.75 CYP19A1 (0.37) TDP1
SCHEMBL7568323 0.73 ALDH1A1 (0.39) TSHRALDH1A1MAPK1SMN1; SMN2HSD17B10
SCHEMBL4850104 0.71 TDP1 (0.33) TDP1

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