SCHEMBL779557

SCHEMBL779557

Cc1ccc(C(=O)P(=O)(O)OC(=O)c2c(C)cccc2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
GAA P10253 1/20 0.37
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
SRD5A2 P31213 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PTK2B Q14289 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
S1PR4 O95977 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL10277450 0.87 LMNA (0.41) ALDH1A1LMNATDP1CES2CES1
SCHEMBL779042 0.84 PTK2B (0.39) ALDH1A1LMNATDP1GAAPTK2B
SCHEMBL779313 0.80 HPGD (0.39) ALDH1A1LMNAGAAPTK2BRXFP1
SCHEMBL779421 0.79 SMN1; SMN2 (0.42) ALDH1A1LMNATDP1GAACES2
SCHEMBL779420 0.79 ALDH1A1 (0.40) ALDH1A1LMNATDP1GAASMN1; SMN2
SCHEMBL777553 0.74 ALDH1A1 (0.45) ALDH1A1LMNATDP1GAACES2
SCHEMBL10277449 0.74 PTPN5 (0.41) ALDH1A1LMNAGAASMN1; SMN2MEN1
SCHEMBL10277487 0.74 L3MBTL1 (0.40) ALDH1A1LMNATDP1CES2CES1
SCHEMBL777302 0.74 ALDH1A1 (0.46) ALDH1A1LMNATDP1GAACES2
SCHEMBL10277486 0.72 HDAC7 (0.52) ALDH1A1LMNATDP1GAACES2

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