SCHEMBL6445826

SCHEMBL6445826

CC(OC(=O)OC1CCCC(OC(=O)OC(C)C(C)(C)C)C1)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.35
CYP19A1 P11511 1/20 0.32

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
SCHEMBL12306247 0.89 CYP19A1 (0.40) CYP19A1
SCHEMBL15944505 0.88 CYP19A1 (0.42) CYP19A1
SCHEMBL16731581 0.88 CYP19A1 (0.42) CYP19A1
SCHEMBL15944506 0.88 CYP19A1 (0.42) CYP19A1
SCHEMBL12255658 0.88 CYP19A1 (0.42) CYP19A1
SCHEMBL12306249 0.85 CYP19A1 (0.32) CYP19A1
SCHEMBL6445808 0.82 SERPINE1 (0.37) SERPINE1CYP19A1
SCHEMBL1081363 0.82 SERPINE1 (0.39) SERPINE1CYP19A1
SCHEMBL20051876 0.79 CYP19A1 (0.35) CYP19A1
SCHEMBL18995117 0.79 CYP19A1 (0.35) CYP19A1

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
EP-1194396-B1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AG (DE) 2005-11-09 EP claimed
EP-1194396-A1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2002-04-10 EP claimed
WO-2000078704-A1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2000-12-28 WO claimed
EP-1194396-B1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AG (DE) 2005-11-09 EP disclosed
EP-1194396-A1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2002-04-10 EP disclosed
WO-2000078704-A1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2000-12-28 WO disclosed