SCHEMBL779397

SCHEMBL779397

CCCCCOP(=O)(O)C(=O)c1ccccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
CYP3A4 P08684 2/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LPAR3 Q9UBY5 3/20 0.44
LPAR1 Q92633 2/20 0.44
LPAR2 Q9HBW0 2/20 0.44
CETP P11597 3/20 0.43
MEN1 O00255 1/20 0.43
NR1I2 O75469 1/20 0.43
CHRM2 P08172 1/20 0.43
ADRA2A P08913 1/20 0.43
MAPT P10636 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL776756 0.90 KMT2A (0.47) TSHRCYP3A4TP53MAPK1LMNA
SCHEMBL779061 0.87 TSHR (0.50) TSHRCYP3A4TP53MAPK1LMNA
SCHEMBL777395 0.82 TSHR (0.49) TSHRCYP3A4TP53MAPK1LMNA
SCHEMBL778707 0.79 KDM4E (0.43) CYP3A4TP53LMNAALDH1A1MEN1
SCHEMBL778047 0.77 L3MBTL1 (0.48) TSHRTP53LMNAALDH1A1LPAR3
SCHEMBL776757 0.76 KMT2A (0.49) TSHRCYP3A4TP53MAPK1LMNA
SCHEMBL777087 0.75 NPC1 (0.46) TP53MEN1CHRM2ADRA2ASLC6A3
SCHEMBL3883054 0.75 PLA2G2D (0.53) TSHRCYP3A4TP53MAPK1ALDH1A1
SCHEMBL28839225 0.75 CETP (0.47) TSHRCYP3A4TP53MAPK1LMNA
SCHEMBL8661935 0.74 TSHR (0.81) TSHRCYP3A4TP53MAPK1LMNA

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