SCHEMBL777318

SCHEMBL777318

Cc1ccc(C(=O)c2cc(C(=O)P(=O)(O)C(=O)c3ccc(C)cc3)ccc2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
SRD5A2 P31213 2/20 0.44
AKR1C3 P42330 1/20 0.42
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 2/20 0.42
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RAB9A P51151 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL9782367 0.79 ALDH1A1 (0.60) ALDH1A1LMNASRD5A2AKR1C3MAPT
SCHEMBL15745643 0.75 SRD5A2 (0.62) ALDH1A1LMNASRD5A2AKR1C3MAPT
SCHEMBL11947080 0.73 HTT (0.62) ALDH1A1LMNASRD5A2AKR1C3MAPT
SCHEMBL1667151 0.73 ALDH1A1 (0.59) ALDH1A1LMNASRD5A2AKR1C3L3MBTL1
SCHEMBL10175303 0.71 HTT (0.59) ALDH1A1LMNASRD5A2AKR1C3MAPT
SCHEMBL779856 0.71 ALDH1A1 (0.48) ALDH1A1LMNASRD5A2AKR1C3MAPT
SCHEMBL17207928 0.71 MMP13 (0.51) ALDH1A1LMNASRD5A2MAPTHTT
SCHEMBL17207943 0.71 MMP13 (0.51) ALDH1A1LMNASRD5A2MAPTHTT
SCHEMBL15290154 0.71 MMP13 (0.56) ALDH1A1LMNASRD5A2AKR1C3MAPT
SCHEMBL52200 0.71 ALDH1A1 (1.00) ALDH1A1LMNASRD5A2AKR1C3MAPT

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