SCHEMBL779808

SCHEMBL779808

CCc1ccc(OP(=O)(Oc2ccc(CC)cc2)C(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 4/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
MAOB P27338 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
P2RY14 Q15391 1/20 0.44
PLK1 P53350 1/20 0.44
PARP10 Q53GL7 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL777303 0.89 CYP3A4 (0.55) SMN1; SMN2ALDH1A1CYP3A4TSHRMAPT
SCHEMBL778425 0.83 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1CYP3A4TSHRMAPT
SCHEMBL777534 0.81 MEN1 (0.50) SMN1; SMN2ALDH1A1CYP3A4TSHRMEN1
SCHEMBL28672551 0.79 CYP2C19 (0.53) CYP2C19SMN1; SMN2ALDH1A1CYP3A4TSHR
SCHEMBL28149403 0.79 CYP2C19 (0.64) CYP2C19SMN1; SMN2ALDH1A1CYP3A4TSHR
SCHEMBL28672554 0.78 CYP2C19 (0.51) CYP2C19SMN1; SMN2ALDH1A1CYP3A4TSHR
SCHEMBL28672735 0.78 CYP3A4 (0.49) CYP2C19SMN1; SMN2ALDH1A1CYP3A4TSHR
SCHEMBL778356 0.78 CYP3A4 (0.43) SMN1; SMN2ALDH1A1CYP3A4TSHRMAPT
SCHEMBL13670310 0.78 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1CYP3A4MAPK1MAOB
SCHEMBL13670313 0.78 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1CYP3A4MAPK1MAOB

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