SCHEMBL779632

SCHEMBL779632

C#CC(C)OP(=O)(OC(C)C#C)C(=O)c1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 3/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DHODH Q02127 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
POLB P06746 1/20 0.34
TYK2 P29597 1/20 0.34
F2R P25116 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
SCHEMBL779631 0.87 ALDH1A1 (0.40) MAPTKMT2AALDH1A1HPGDNPC1
SCHEMBL4610528 0.80 KMT2A (0.46) MAPTKMT2AALDH1A1HPGDNPC1
SCHEMBL779898 0.76 ALDH1A1 (0.41) KMT2AALDH1A1HPGDNPC1RAB9A
SCHEMBL776959 0.74 NPC1 (0.46) MAPTKMT2AALDH1A1HPGDNPC1
SCHEMBL3892025 0.73 ACP3 (0.34) MAPTKMT2AALDH1A1L3MBTL1
SCHEMBL4609601 0.73 ALDH1A1 (0.47) MAPTKMT2AALDH1A1HPGDNPC1
SCHEMBL13811170 0.72 ALDH1A1 (0.51) MAPTKMT2AALDH1A1HPGDNPC1
SCHEMBL4610958 0.72 KMT2A (0.48) MAPTKMT2AALDH1A1HPGDNPC1
SCHEMBL3892026 0.72 ALDH1A1 (0.33) MAPTKMT2AALDH1A1HPGDL3MBTL1
SCHEMBL779208 0.71 KMT2A (0.46) MAPTKMT2AALDH1A1HPGDNPC1

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