SCHEMBL777378

SCHEMBL777378

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.47
ACP3 P15309 2/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
CA9 Q16790 1/20 0.37
FDPS P14324 2/20 0.36
DPEP1 P16444 1/20 0.36
ANPEP P15144 2/20 0.35
ERAP2 Q6P179 2/20 0.35

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
SCHEMBL779405 0.84 METAP1 (0.59) METAP1ACP3CA12CA1CA2
SCHEMBL777236 0.77 GRIN2D (0.35) METAP1FDPS
SCHEMBL1243145 0.76 METAP1 (0.46) METAP1ACP3CA12CA1CA2
SCHEMBL18230965 0.76 FDPS (0.55) METAP1ACP3CA12CA1CA2
SCHEMBL12256220 0.69 CYP1A2 (0.36) METAP1
SCHEMBL13327340 0.69 FDPS (0.52) METAP1ACP3CA12CA1CA2
SCHEMBL9170443 0.68 METAP1 (0.44) METAP1ACP3CA12CA1CA2
SCHEMBL4104306 0.68 METAP1 (0.49) METAP1ACP3CA12CA1CA2
SCHEMBL7805193 0.67 METAP1 (0.57) METAP1CA12CA1CA2MMP1
SCHEMBL17333514 0.67 SIGMAR1 (0.52) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9608291-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2017-03-28 US disclosed
US-9343777-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-05-17 US disclosed
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-20150188192-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-02 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed