SCHEMBL777536

SCHEMBL777536

O=P(O)(c1ccccc1-c1ccccc1F)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.36
KMT2A Q03164 4/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ACKR3 P25106 1/20 0.34
GALR1 P47211 1/20 0.34
CHRM3 P20309 2/20 0.34
HPGD P15428 2/20 0.33
PTPN5 P54829 2/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
PTPN2 P17706 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL14747871 0.74 NPC1 (0.44) KMT2ANPC1RAB9AMEN1LMNA
SCHEMBL777584 0.74 KMT2A (0.37) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL778614 0.74 KMT2A (0.37) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL27628134 0.73 PTGDR2 (0.41) KMT2AMEN1PTPN5PTPN2
SCHEMBL780190 0.72 KMT2A (0.36) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL776970 0.72 MAPT (0.38) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL778595 0.72 ALDH1A1 (0.33) KMT2ARAB9AMEN1ALDH1A1PTPN5
SCHEMBL4127049 0.71 CHRM3 (0.36) DHODHNPC1RAB9AACKR3CHRM3
SCHEMBL10844112 0.70 CA2 (0.46) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL780831 0.70 CA2 (0.46) KMT2ANPC1RAB9AMEN1ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9608291-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2017-03-28 US disclosed
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-20150188192-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-02 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
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed