SCHEMBL778118

SCHEMBL778118

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
PTK2B Q14289 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 3/20 0.41
PNLIP P16233 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL779617 0.90 HPGD (0.46) CYP3A4NPC1RAB9ALMNAL3MBTL1
SCHEMBL776900 0.85 SMN1; SMN2 (0.49) TSHRNPC1RAB9ALMNAMEN1
SCHEMBL778003 0.84 NPC1 (0.40) CYP3A4NPC1RAB9ALMNAL3MBTL1
SCHEMBL778227 0.81 SMN1; SMN2 (0.42) CYP3A4TSHRNPC1RAB9ALMNA
SCHEMBL779604 0.80 NPC1 (0.46) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL13811170 0.79 ALDH1A1 (0.51) NPC1RAB9ALMNAL3MBTL1KMT2A
SCHEMBL776959 0.78 NPC1 (0.46) NPC1RAB9ALMNAKMT2AMAPT
SCHEMBL777303 0.78 CYP3A4 (0.55) CYP3A4TSHRNPC1RAB9ALMNA
SCHEMBL777534 0.77 MEN1 (0.50) CYP3A4TSHRNPC1RAB9ALMNA
SCHEMBL10277598 0.76 LMNA (0.49) CYP3A4NPC1RAB9ALMNAMEN1

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