SCHEMBL9282007

SCHEMBL9282007

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM3 Q14832 2/20 0.33
ABCC4 O15439 1/20 0.33
MAPT P10636 1/20 0.33
FOLH1 Q04609 4/20 0.32
GRM8 O00222 1/20 0.31
GRM6 O15303 1/20 0.31
GRM7 Q14831 1/20 0.31
GRM4 Q14833 1/20 0.31
NAALAD2 Q9Y3Q0 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
SCHEMBL9466747 0.77 FDPS (0.36) GRM3FOLH1GRM8GRM6GRM7
SCHEMBL11344898 0.77 GRM3 (0.38) GRM3FOLH1GRM8GRM6GRM7
SCHEMBL27837595 0.75 HSPD1 (0.42) GRM3
SCHEMBL11331405 0.74 GRM3 (0.43) GRM3FOLH1GRM8GRM6GRM7
SCHEMBL25394728 0.72 FOLH1 (0.40) GRM3FOLH1GRM8GRM6GRM7
SCHEMBL5707274 0.69
Phosphonic Acid SCHEMBL7187066 0.68 GRM3 (0.34) GRM3FOLH1GRM8GRM6GRM7
SCHEMBL11343035 0.67 FOLH1 (0.38) FOLH1
SCHEMBL11339923 0.65 FDPS (0.38)
SCHEMBL7596861 0.64 GRIK1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5562830-A IN MIXTURE WITH POLYEPOXYSUCCINIC ACID AND A PHOSPHONOCARBOXYLIC ACID BETZ LABORATORIES, INC. (US) 1996-10-08 US claimed