SCHEMBL779312

SCHEMBL779312

Cc1ccc(C(=O)OP(=O)(O)C(=O)c2ccccc2C)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.42
MEN1 O00255 3/20 0.42
NPC1 O15118 5/20 0.41
RAB9A P51151 4/20 0.41
PKM P14618 2/20 0.41
TNF P01375 1/20 0.41
CDK5 Q00535 1/20 0.41
KLF5 Q13887 1/20 0.41
CDK5R1 Q15078 1/20 0.41
NOD1 Q9Y239 1/20 0.41
NFE2L2 Q16236 1/20 0.40
PTK2B Q14289 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 3/20 0.38
HSD11B1 P28845 1/20 0.38
KCNK3 O14649 2/20 0.36
KCNK9 Q9NPC2 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36

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
SCHEMBL10277862 0.86 HDAC7 (0.51) KMT2AMEN1PTK2BRXFP1MAPT
SCHEMBL10277743 0.85 MEN1 (0.38) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL779420 0.84 ALDH1A1 (0.40) KMT2AMEN1NPC1RAB9APKM
SCHEMBL778026 0.81 KMT2A (0.43) KMT2AMEN1NPC1RAB9APKM
SCHEMBL780963 0.81 ALDH1A1 (0.46) KMT2AMEN1NPC1RAB9APKM
SCHEMBL779313 0.80 HPGD (0.39) KMT2AMEN1NPC1RAB9APKM
SCHEMBL10277449 0.76 PTPN5 (0.41) KMT2AMEN1SMN1; SMN2MAPTPOLB
SCHEMBL777428 0.76 NPC1 (0.44) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL779208 0.76 KMT2A (0.46) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL10277863 0.76 SUCNR1 (0.39) KMT2AMEN1NPC1RAB9APKM

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