SCHEMBL779631

SCHEMBL779631

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 3/20 0.36
POLB P06746 1/20 0.36
ACP3 P15309 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
THRB P10828 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DHODH Q02127 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
F2R P25116 1/20 0.33
TYK2 P29597 1/20 0.33

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
SCHEMBL779632 0.87 MAPT (0.43) ALDH1A1MAPTKMT2AHPGDPOLB
SCHEMBL779057 0.78 HPGD (0.41) ALDH1A1MAPTKMT2AHPGDPOLB
SCHEMBL779060 0.77 THRB (0.41) ALDH1A1MAPTKMT2AHPGDPOLB
SCHEMBL779897 0.77 ALDH1A1 (0.40) ALDH1A1KMT2AHPGDNPC1RAB9A
SCHEMBL3892025 0.75 ACP3 (0.34) ALDH1A1MAPTKMT2AACP3L3MBTL1
SCHEMBL2258548 0.72 HPGD (0.52) ALDH1A1KMT2AHPGDPOLBNPC1
SCHEMBL778117 0.71 HPGD (0.45) ALDH1A1MAPTKMT2AHPGDPOLB
SCHEMBL3892026 0.71 ALDH1A1 (0.33) ALDH1A1MAPTKMT2AHPGDL3MBTL1
SCHEMBL4610528 0.70 KMT2A (0.46) ALDH1A1MAPTKMT2AHPGDPOLB
SCHEMBL778023 0.70 SMN1; SMN2 (0.41) ALDH1A1HPGDPOLBNPC1RAB9A

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