SCHEMBL778500

SCHEMBL778500

Cc1ccc(C(=O)P(=O)(O)OCC2C=CCCC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.36
NPC1 O15118 6/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
MMP13 P45452 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 3/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 2/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
OPRK1 P41145 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL778501 0.90 RAB9A (0.36) RAB9ANPC1SMN1; SMN2CYP1A2HPGD
SCHEMBL3883817 0.82 LMNA (0.37) RAB9ANPC1SMN1; SMN2HPGDMEN1
SCHEMBL780265 0.81 NPC1 (0.39) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL778175 0.80 MMP13 (0.47) RAB9ANPC1SMN1; SMN2CYP1A2HPGD
SCHEMBL777329 0.79 MMP13 (0.49) RAB9ANPC1SMN1; SMN2CYP1A2HPGD
SCHEMBL3883819 0.79 GAA (0.33) RAB9ANPC1SMN1; SMN2HPGDMEN1
SCHEMBL779370 0.76 MEN1 (0.37) RAB9ANPC1SMN1; SMN2CYP1A2HPGD
SCHEMBL778021 0.75 USP2 (0.31) ALDH1A1
SCHEMBL780266 0.73 NPC1 (0.39) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL777547 0.73 USP2 (0.32) ALDH1A1

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