SCHEMBL28022152

SCHEMBL28022152

O=P(O)(CC1CCCCC1)OC(F)(F)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.39
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
CA9 Q16790 1/20 0.36
HDAC6 Q9UBN7 2/20 0.32
MLYCD O95822 1/20 0.32
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 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
SCHEMBL28021653 0.84 METAP1 (0.41) METAP1CA12CA1CA2MMP1
SCHEMBL5670794 0.75 CA12 (0.41) METAP1CA12CA1CA2MMP1
SCHEMBL778439 0.70 METAP1 (0.41) METAP1CA12CA1CA2MMP1
SCHEMBL7915207 0.70 PPARD (0.44) METAP1CA12CA1CA2MMP1
SCHEMBL5535929 0.70 MMP2 (0.44) METAP1CA12CA1CA2MMP1
SCHEMBL2331815 0.69 METAP1 (0.50) METAP1CA12CA1CA2MMP1
SCHEMBL14516801 0.68 MMP2 (0.41) METAP1CA12CA1CA2MMP1
Phosphoric Acid SCHEMBL11497465 0.68 METAP1 (0.48) METAP1CA12CA1CA2MMP1
SCHEMBL10941895 0.68 METAP1 (0.48) METAP1CA12CA1CA2MMP1
Water SCHEMBL7648271 0.68 METAP1 (0.48) METAP1CA12CA1CA2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-103259044-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEMICAL CORP. (JP) 2016-02-10 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