SCHEMBL8230756

SCHEMBL8230756

C=C(C(=O)O)C(C)C=C(CCC)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 6/20 0.33
GRIK2 Q13002 4/20 0.33
GRIA2 P42262 2/20 0.33
GRIA4 P48058 2/20 0.33
GRIK3 Q13003 2/20 0.33
GRIK5 Q16478 2/20 0.33
FFAR3 O14843 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
GRIA1 P42261 1/20 0.33
CES2 O00748 1/20 0.30
CES1 P23141 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
SCHEMBL158481 0.89 APEX1 (0.36) GRIK1GRIK2GRIA2GRIA4GRIK3
SCHEMBL3634989 0.88 AKR1B1 (0.39) CES2CES1
SCHEMBL3467327 0.86 GPR84 (0.41)
SCHEMBL9336189 0.86 GPR84 (0.41)
SCHEMBL4524385 0.85 GRIK1 (0.33) GRIK1GRIK2GRIA2GRIA4GRIK3
SCHEMBL2203074 0.85 GRIK1 (0.35) GRIK1GRIK2GRIA2GRIA4GRIK3
Methacrylic Acid SCHEMBL7696921 0.84 FNTA (0.37)
SCHEMBL8746226 0.82 ABCC4 (0.32) GRIK1GRIK2GRIA2GRIA4GRIK3
SCHEMBL8139925 0.82 CAMK2A (0.34) GRIK1GRIK2GRIA2GRIA4GRIK3
Methacrylic Acid SCHEMBL8161913 0.80 GRIK1 (0.33) GRIK1GRIK2GRIA2GRIA4GRIK3

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
US-6106605-A ORGANOSILICON POLYMER PPG INDUSTRIES OHIO, INC. (US) 2000-08-22 US disclosed
US-5998123-A MERCAPTOPYRAZOLONE DERIVATIVE COUPLERS KONICA CORPORATION (JP) 1999-12-07 US disclosed
US-5693422-A CONTAINING HYDROLYTIC POLYCONDENSATION PRODUCT OF A SILICON ALKOXIDE, AN ORGANOALKOXYSILANE AND A UV RAD ABSORBER OF A HYDROXYBENZOPHENONE OR HYDROXYBENZOTRIAZOLE PPG INDUSTRIES, INC. (US) 1997-12-02 US disclosed
US-5385964-A A radiation protective coating consisting of a reactive ultraviolet absorbing organic compound containing hydrophilic hydroxyl groups reacting with silanol groups to form silicon polymers; abrasion resistance PPG INDUSTRIES, INC. (US) 1995-01-31 US disclosed