SCHEMBL7521790

SCHEMBL7521790

CCCC(=O)OC1(C)CCCCC1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
CYP19A1 P11511 5/20 0.38
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
NR3C1 P04150 1/20 0.30
PGR P06401 1/20 0.30
NR3C2 P08235 1/20 0.30
PRKCA P17252 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
SCHEMBL9878833 0.87 CYP19A1 (0.32) CYP19A1LMNAGRIN2DGRIN3BGRIN1
SCHEMBL29240039 0.85 CYP19A1 (0.33) CYP19A1LMNAGRIN2DGRIN3BGRIN1
SCHEMBL27503789 0.81 CYP19A1 (0.32) ALDH1A1CYP19A1LMNA
SCHEMBL28413104 0.79 PRKCA (0.39) CYP19A1LMNAMAPTNR3C1PGR
SCHEMBL4564982 0.78 CYP19A1 (0.39) CYP19A1
SCHEMBL28457918 0.75 BCL9 (0.35) ALDH1A1CYP19A1
SCHEMBL14478385 0.73 CYP19A1 (0.46) ALDH1A1CYP19A1LMNA
SCHEMBL28870848 0.72 CYP19A1 (0.35) CYP19A1MAPT
SCHEMBL14478384 0.72 CYP19A1 (0.49) ALDH1A1CYP19A1LMNA
SCHEMBL30992129 0.71 POLB (0.34) ALDH1A1CYP19A1LMNAGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001060986-A9 ESTERASE ENZYMES HAVING SELECTIVE ACTIVITY THERMOGEN INC (US) 2002-10-17 WO claimed
WO-2001060986-A2 ESTERASE ENZYMES HAVING SELECTIVE ACTIVITY THERMOGEN, INC. (US) 2001-08-23 WO claimed
WO-2001060986-A9 ESTERASE ENZYMES HAVING SELECTIVE ACTIVITY THERMOGEN INC (US) 2002-10-17 WO disclosed
WO-2001060986-A2 ESTERASE ENZYMES HAVING SELECTIVE ACTIVITY THERMOGEN, INC. (US) 2001-08-23 WO disclosed