SCHEMBL778665

SCHEMBL778665

Cc1ccccc1C(=O)C(=Cc1ccccc1)P(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.40
AKR1C3 P42330 1/20 0.40
GPR52 Q9Y2T5 1/20 0.39
PLA2G1B P04054 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL780573 0.83 HPGD (0.43) KDM4EHPGDSMN1; SMN2RAB9AKMT2A
SCHEMBL3881989 0.79 KDM4E (0.44) KDM4EHPGDALDH1A1SMN1; SMN2RAB9A
SCHEMBL675699 0.78 KDM4E (0.50) KDM4EHPGDALDH1A1SMN1; SMN2RAB9A
SCHEMBL778517 0.78 CES2 (0.53) HPGDALDH1A1SMN1; SMN2RAB9AKMT2A
SCHEMBL4865622 0.77 AKR1C3 (0.58) KDM4EHPGDALDH1A1SMN1; SMN2RAB9A
SCHEMBL9512308 0.76 AKR1C3 (0.52) ALDH1A1SMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL9508762 0.76 AKR1C3 (0.52) ALDH1A1SMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL9508751 0.76 AKR1C3 (0.52) ALDH1A1SMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL2223293 0.76 AKR1C3 (0.50) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL2223295 0.76 AKR1C3 (0.50) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT

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