SCHEMBL780963

SCHEMBL780963

Cc1ccc(C(=O)OP(=O)(O)C(=O)c2ccccc2C)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
MAPT P10636 4/20 0.41
POLB P06746 3/20 0.41
RAB9A P51151 5/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 2/20 0.40
PKM P14618 2/20 0.40
NPC1 O15118 5/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MITF O75030 1/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.37
APAF1 O14727 1/20 0.37
TDP2 O95551 1/20 0.37
NSD2 O96028 1/20 0.37
GALK1 P51570 1/20 0.37
SENP8 Q96LD8 1/20 0.37

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
SCHEMBL10277863 0.86 SUCNR1 (0.39) ALDH1A1POLBRAB9AKMT2AMEN1
SCHEMBL779421 0.81 SMN1; SMN2 (0.42) ALDH1A1CES2CES1MAPTPOLB
SCHEMBL779312 0.81 KMT2A (0.42) ALDH1A1MAPTPOLBRAB9AKMT2A
SCHEMBL779313 0.80 HPGD (0.39) ALDH1A1MAPTPOLBRAB9AKMT2A
SCHEMBL778026 0.78 KMT2A (0.43) ALDH1A1POLBRAB9AKMT2AMEN1
SCHEMBL10277743 0.77 MEN1 (0.38) ALDH1A1MAPTPOLBRAB9AKMT2A
SCHEMBL778023 0.75 SMN1; SMN2 (0.41) ALDH1A1POLBRAB9ANPC1SMN1; SMN2
SCHEMBL10277862 0.73 HDAC7 (0.51) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL10277744 0.72 HNF4A (0.40) ALDH1A1MAPTPOLBRAB9AKMT2A
SCHEMBL12792043 0.72 ALDH1A1 (0.74) ALDH1A1CES2CES1MAPTPOLB

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