SCHEMBL1945670

SCHEMBL1945670

C=C(C)C(=O)OC.C=CC(=O)OC1CC2CCC1C2

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
ALDH1A1 P00352 1/20 0.41
CYP19A1 P11511 1/20 0.35
GRM1 Q13255 6/20 0.35
PDE4A P27815 3/20 0.31
PDE4B Q07343 3/20 0.31
PDE4C Q08493 3/20 0.31
PDE4D Q08499 3/20 0.31
EPHX2 P34913 1/20 0.31
SLC6A3 Q01959 1/20 0.31
POLB P06746 1/20 0.31
CTSV O60911 1/20 0.30
CTSL P07711 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 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
Methacrylic Acid SCHEMBL9864431 0.87 ATM (0.57) ATMCYP19A1GRM1PDE4APDE4B
SCHEMBL29353750 0.85 ATM (0.65) ATMCYP19A1GRM1PDE4APDE4B
SCHEMBL641536 0.85 ATM (0.65) ATMCYP19A1GRM1PDE4APDE4B
SCHEMBL75299 0.81 ATM (0.50) ATMALDH1A1CYP19A1GRM1PDE4A
SCHEMBL16188010 0.81 ATM (0.50) ATMALDH1A1CYP19A1GRM1PDE4A
SCHEMBL16168301 0.81 ATM (0.50) ATMALDH1A1CYP19A1GRM1PDE4A
SCHEMBL23494105 0.77 ATM (0.53) ATMCYP19A1GRM1
Methacrylic Acid SCHEMBL4802534 0.77 ATM (0.50) ATMALDH1A1CYP19A1GRM1PDE4A
SCHEMBL23494271 0.76 ATM (0.53) ATMCYP19A1GRM1
SCHEMBL23494082 0.76 ATM (0.51) ATMCYP19A1GRM1POLB

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
US-8350999-B2 Liquid-crystal display device having particular retardations and internal hazes FUJIFILM CORPORATION (JP) 2013-01-08 US disclosed
US-20110128482-A1 LIQUID-CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2011-06-02 US disclosed