SCHEMBL779057

SCHEMBL779057

CCC(C)OP(=O)(O)C(=O)c1ccccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CXCR5 P32302 1/20 0.40
F2R P25116 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
FFAR1 O14842 1/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.38
ADRB2 P07550 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
SCHEMBL779060 0.87 THRB (0.41) HPGDKMT2AALDH1A1MAPTTHRB
SCHEMBL4240925 0.80 KDM4E (0.46) HPGDKMT2AALDH1A1MAPTRAB9A
SCHEMBL779631 0.78 ALDH1A1 (0.40) HPGDKMT2AALDH1A1MAPTTHRB
SCHEMBL780171 0.76 ALDH1A1 (0.41) KMT2AALDH1A1MAPTL3MBTL1RAB9A
SCHEMBL776756 0.76 KMT2A (0.47) HPGDKMT2AALDH1A1MAPTTHRB
SCHEMBL3736903 0.75 F2R (0.42) HPGDALDH1A1MAPTL3MBTL1F2R
SCHEMBL4112180 0.75 NCEH1 (0.41) HPGDKMT2AALDH1A1MAPTRAB9A
SCHEMBL3881941 0.74 CXCR5 (0.37) KMT2AALDH1A1MAPTTHRBL3MBTL1
SCHEMBL13328208 0.73 SMN1; SMN2 (0.58) KMT2AALDH1A1MAPTL3MBTL1RAB9A
SCHEMBL2258548 0.73 HPGD (0.52) HPGDKMT2AALDH1A1L3MBTL1RAB9A

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