SCHEMBL27686993

SCHEMBL27686993

C=C(C)C(=O)OC=C(C)C(=O)OC1CC2CCC1C2

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
CYP19A1 P11511 1/20 0.36
GRM1 Q13255 6/20 0.35
PDE4A P27815 3/20 0.30
PDE4B Q07343 3/20 0.30
PDE4C Q08493 3/20 0.30
PDE4D Q08499 3/20 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
SCHEMBL16168301 0.86 ATM (0.50) ATMCYP19A1GRM1PDE4APDE4B
SCHEMBL75299 0.86 ATM (0.50) ATMCYP19A1GRM1PDE4APDE4B
SCHEMBL16188010 0.86 ATM (0.50) ATMCYP19A1GRM1PDE4APDE4B
Methacrylic Acid SCHEMBL4802534 0.82 ATM (0.50) ATMCYP19A1GRM1PDE4APDE4B
SCHEMBL31695282 0.80 ATM (0.54) ATMCYP19A1GRM1PDE4APDE4B
SCHEMBL20636604 0.80 ATM (0.54) ATMCYP19A1GRM1PDE4APDE4B
SCHEMBL13517830 0.78 ATM (0.40) ATMCYP19A1GRM1
SCHEMBL23494198 0.77 ATM (0.41) ATMCYP19A1GRM1
SCHEMBL23494196 0.77 ATM (0.39) ATMCYP19A1GRM1
SCHEMBL13950962 0.76 ATM (0.40) ATMCYP19A1GRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1961260-A Photoactive compounds AZ ELECTRONIC MATERIALS USA (US) 2007-05-09 CN claimed
CN-1961260-A Photoactive compounds AZ ELECTRONIC MATERIALS USA (US) 2007-05-09 CN disclosed