SCHEMBL575580

SCHEMBL575580

CCOP(=O)(OC1CCCCC1)C1CCCCC1F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.38
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
EPHX1 P07099 1/20 0.33
ADRA2A P08913 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL575588 0.87 MMP1 (0.35) MMP1MMP2ADRA2ANISCHMEN1
SCHEMBL780505 0.85 ACHE (0.41) ACHENPSR1MEN1KMT2A
SCHEMBL2485149 0.82 ACHE (0.41) ACHENPSR1MEN1KMT2A
SCHEMBL576069 0.82 MEN1 (0.33) MMP1MMP2ADRA2ANISCHMEN1
SCHEMBL575155 0.78 ACHE (0.43) ACHEMMP1MMP2EPHX1ADRA2A
SCHEMBL2523869 0.76 MMP1 (0.35) MMP1MMP2
SCHEMBL575648 0.76 ACHE (0.44) ACHEMMP1MMP2EPHX1ADRA2A
SCHEMBL576233 0.76 MMP1 (0.35) MMP1MMP2
SCHEMBL575725 0.74 ACHE (0.41) ACHEMMP1MMP2EPHX1NPSR1
SCHEMBL14966337 0.72 TSHR (0.48) ACHEMMP1MMP2EPHX1ADRA2A

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
EP-2418723-A1 Nonaqueous electrolyte for secondary battery and nonaqueous-electrolyte secondary battery employing the same Mitsubishi Chemical Corporation (JP) 2012-02-15 EP disclosed