SCHEMBL31026232

SCHEMBL31026232

CCP(=O)(O)CC(C)C.[Al]

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
ANPEP P15144 5/20 0.36
LAP3 P28838 4/20 0.36
ERAP1 Q9NZ08 1/20 0.36
FDPS P14324 3/20 0.33
MMP1 P03956 2/20 0.33
MMP8 P22894 1/20 0.33
MMP2 P08253 2/20 0.32
METAP1 P53582 1/20 0.32
MMP3 P08254 1/20 0.32
KDM4E B2RXH2 1/20 0.32
THRB P10828 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL2404471 0.97
SCHEMBL2511726 0.95 GABBR2 (0.39) GABBR2GABBR1TRPM8ANPEPLAP3
SCHEMBL31074941 0.86 ANPEP (0.40) GABBR2GABBR1TRPM8ANPEPLAP3
SCHEMBL575494 0.83
SCHEMBL331939 0.83 ANPEP (0.42) GABBR2GABBR1TRPM8ANPEPLAP3
Bromide SCHEMBL28549578 0.80 ANPEP (0.40) GABBR2GABBR1TRPM8ANPEPLAP3
Hydrochloric Acid SCHEMBL28552052 0.80 ANPEP (0.40) GABBR2GABBR1TRPM8ANPEPLAP3
SCHEMBL28725325 0.80 ANPEP (0.40) GABBR2GABBR1TRPM8ANPEPLAP3
SCHEMBL29265277 0.80 ANPEP (0.40) GABBR2GABBR1TRPM8ANPEPLAP3
SCHEMBL2253835 0.80 ANPEP (0.40) GABBR2GABBR1TRPM8ANPEPLAP3

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
CN-118420663-A Metal polydialkylphosphinate double salts and uses thereof 黎杰 2024-08-02 CN disclosed