SCHEMBL779625

SCHEMBL779625

Cc1ccc(C(=O)c2c(C)cccc2P(=O)(O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
LMNA P02545 2/20 0.48
PTK2B Q14289 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
SRD5A2 P31213 1/20 0.43
AKR1C3 P42330 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.40
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPT P10636 4/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL779279 0.84 HDAC8 (0.47) ALDH1A1SMN1; SMN2HDAC6TDP1MAPT
SCHEMBL28792396 0.82 KMT2A (0.42) LMNAPTK2BRXFP1SMN1; SMN2MAPT
SCHEMBL29759522 0.82 KMT2A (0.42) LMNAPTK2BRXFP1SMN1; SMN2MAPT
SCHEMBL777792 0.80 LMNA (0.44) ALDH1A1LMNAPTK2BRXFP1SRD5A2
SCHEMBL777501 0.80 PTK2B (0.44) ALDH1A1PTK2BRXFP1SMN1; SMN2MAPT
SCHEMBL2230261 0.75 AKR1C3 (0.59) ALDH1A1LMNASRD5A2AKR1C3SMN1; SMN2
SCHEMBL28630515 0.75 PTK2B (0.38) ALDH1A1PTK2BRXFP1GAATDP1
SCHEMBL3885852 0.72 PTK2B (0.43) ALDH1A1LMNAPTK2BRXFP1SMN1; SMN2
SCHEMBL28923510 0.72 MEN1 (0.53) ALDH1A1CES2CES1MAPT
SCHEMBL9712611 0.71 ALDH1A1 (0.50) ALDH1A1LMNASRD5A2AKR1C3SMN1; SMN2

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