SCHEMBL28021663

SCHEMBL28021663

[CH2]CCC(CP(=O)(O)O)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.39
ANPEP P15144 2/20 0.38
ERAP2 Q6P179 2/20 0.38
ALDH1A1 P00352 1/20 0.36
FDPS P14324 2/20 0.35
MMP2 P08253 5/20 0.34
CA12 O43570 4/20 0.34
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA9 Q16790 4/20 0.34
MMP8 P22894 1/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
EPHX1 P07099 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL8935175 0.84 METAP1 (0.40) METAP1ANPEPERAP2ALDH1A1FDPS
SCHEMBL9204160 0.74 EPHX1 (0.36) ALDH1A1EPHX1TP53
SCHEMBL777752 0.74 METAP1 (0.38) METAP1ANPEPERAP2ALDH1A1FDPS
SCHEMBL9788135 0.73 OTC (0.44) METAP1ANPEPERAP2ALDH1A1
SCHEMBL9209301 0.72 ALDH1A1 (0.32) ALDH1A1EPHX1TP53
SCHEMBL20600160 0.71 SHBG (0.48) ALDH1A1EPHX1TP53
SCHEMBL11000331 0.69 ALDH1A1 (0.32) ALDH1A1EPHX1TP53
SCHEMBL20600342 0.69 SHBG (0.41) ALDH1A1EPHX1TP53
SCHEMBL12803213 0.69 SHBG (0.41) ALDH1A1EPHX1TP53
SCHEMBL27732788 0.69 ANPEP (0.50) METAP1ANPEPERAP2FDPSMMP2

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
CN-108091826-A Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2018-05-29 CN disclosed
CN-106848406-A Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2017-06-13 CN disclosed
CN-105633345-A Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same MITSUBISHI CHEM CORP 2016-06-01 CN disclosed
CN-104868157-A Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same MITSUBISHI CHEM CORP 2015-08-26 CN disclosed