SCHEMBL4850104

SCHEMBL4850104

CCCCC1=CC2CCC1C2.CCOC(=O)C1=CC2CCC1C2

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
FDFT1 P37268 1/20 0.30
CYP19A1 P11511 1/20 0.30
DNTT P04053 2/20 0.30
POLB P06746 2/20 0.30
POLA1 P09884 2/20 0.30
RAB9A P51151 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ABL1 P00519 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
RIN1 Q13671 1/20 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
SCHEMBL4851503 0.91 TSHR (0.38) TDP1RAB9A
SCHEMBL28515052 0.87 TSHR (0.38) AKR1C3AKR1C2FDFT1CYP19A1RAB9A
SCHEMBL4247813 0.87 TSHR (0.38) AKR1C3AKR1C2FDFT1CYP19A1RAB9A
SCHEMBL2350191 0.81 TSHR (0.44) TDP1RAB9A
SCHEMBL155171 0.81 SPHK1 (0.33)
SCHEMBL10593447 0.79 ALDH1A1 (0.47) AKR1C3AKR1C2POLBRAB9AKDM4E
SCHEMBL5608084 0.78 ALDH1A1 (0.41) TDP1CYP19A1POLBRAB9AKDM4E
SCHEMBL18053347 0.78 TSHR (0.40) AKR1C3AKR1C2FDFT1RAB9AKDM4E
SCHEMBL7568323 0.78 ALDH1A1 (0.39) CYP19A1POLBRAB9AMAPT
SCHEMBL4852053 0.77 TSHR (0.40) TDP1RAB9A

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