SCHEMBL776900

SCHEMBL776900

CCc1ccc(OP(=O)(Oc2ccc(CC)cc2)C(=O)c2ccccc2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 4/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 4/20 0.40
NPC1 O15118 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 3/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
KDM4E B2RXH2 2/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL778118 0.85 CYP3A4 (0.47) KMT2ALMNAMAPTRAB9ANPC1
SCHEMBL779617 0.85 HPGD (0.46) KMT2ALMNAMAPTRAB9ANPC1
SCHEMBL778227 0.84 SMN1; SMN2 (0.42) SMN1; SMN2KMT2ALMNAMAPTHTT
SCHEMBL778003 0.79 NPC1 (0.40) SMN1; SMN2CYP2C19KMT2ALMNAMAPT
SCHEMBL28371497 0.77 KMT2A (0.60) SMN1; SMN2CYP2C19KMT2ALMNAMAPT
SCHEMBL779808 0.77 CYP2C19 (0.51) SMN1; SMN2CYP2C19KMT2ALMNAMAPT
SCHEMBL779439 0.75 KMT2A (0.58) SMN1; SMN2KMT2ALMNAMAPTHTT
SCHEMBL779604 0.75 NPC1 (0.46) SMN1; SMN2KMT2ALMNAMAPTHTT
SCHEMBL13811170 0.74 ALDH1A1 (0.51) SMN1; SMN2KMT2ALMNAMAPTRAB9A
SCHEMBL777395 0.74 TSHR (0.49) KMT2ALMNAMAPTHTTALDH1A1

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