SCHEMBL778003

SCHEMBL778003

C=Cc1ccc(OP(=O)(Oc2ccc(C=C)cc2)C(=O)c2ccccc2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 3/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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 0.84 CYP3A4 (0.47) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL779617 0.84 HPGD (0.46) NPC1RAB9ALMNAKMT2AALDH1A1
SCHEMBL778227 0.83 SMN1; SMN2 (0.42) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL776900 0.79 SMN1; SMN2 (0.49) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL778356 0.77 CYP3A4 (0.43) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL779604 0.74 NPC1 (0.46) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL3883334 0.74 TDP1 (0.37) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL778708 0.73 KDM4E (0.43) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL13811170 0.73 ALDH1A1 (0.51) NPC1RAB9ALMNAKMT2AALDH1A1
SCHEMBL776959 0.72 NPC1 (0.46) NPC1RAB9ALMNAKMT2AALDH1A1

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