SCHEMBL779371

SCHEMBL779371

Cc1ccc(C(=O)P(=O)(OCC2CC=CCC2)OCC2CC=CCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 2/20 0.36
TSHR P16473 1/20 0.36
MMP13 P45452 1/20 0.36
ALDH1A1 P00352 5/20 0.35
SCN9A Q15858 1/20 0.35
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 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
SCHEMBL779370 0.90 MEN1 (0.37) MEN1KMT2ASMN1; SMN2MAPK1TSHR
SCHEMBL778176 0.82 MMP13 (0.48) MEN1KMT2ASMN1; SMN2MMP13ALDH1A1
SCHEMBL777330 0.81 MMP13 (0.50) MEN1KMT2ASMN1; SMN2MMP13ALDH1A1
SCHEMBL777174 0.80 SMN1; SMN2 (0.44) MEN1KMT2ASMN1; SMN2MAPK1TSHR
SCHEMBL3894233 0.79 LMNA (0.38) MEN1KMT2ASMN1; SMN2MAPK1TSHR
SCHEMBL3894236 0.79 MAPK1 (0.36) MEN1KMT2ASMN1; SMN2MAPK1TSHR
SCHEMBL778501 0.76 RAB9A (0.36) MEN1KMT2ASMN1; SMN2MMP13ALDH1A1
SCHEMBL778175 0.73 MMP13 (0.47) MEN1KMT2ASMN1; SMN2MMP13ALDH1A1
SCHEMBL777173 0.72 SMN1; SMN2 (0.44) MEN1KMT2ASMN1; SMN2MAPK1TSHR
SCHEMBL777329 0.72 MMP13 (0.49) MEN1KMT2ASMN1; SMN2MMP13ALDH1A1

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
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-20120177988-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-12 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