SCHEMBL778023

SCHEMBL778023

C=C(C)OP(=O)(O)C(=O)c1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 3/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
DHODH Q02127 1/20 0.37
POLB P06746 1/20 0.36
TYK2 P29597 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL779313 0.79 HPGD (0.39) SMN1; SMN2HPGDNPC1RAB9ADHODH
SCHEMBL778026 0.78 KMT2A (0.43) SMN1; SMN2HPGDNPC1RAB9APOLB
SCHEMBL2258548 0.77 HPGD (0.52) SMN1; SMN2HPGDNPC1RAB9ADHODH
SCHEMBL778117 0.75 HPGD (0.45) SMN1; SMN2HPGDNPC1RAB9ADHODH
SCHEMBL780963 0.75 ALDH1A1 (0.46) SMN1; SMN2NPC1RAB9APOLBKDM4E
SCHEMBL779312 0.75 KMT2A (0.42) SMN1; SMN2NPC1RAB9APOLBALDH1A1
SCHEMBL777553 0.73 ALDH1A1 (0.45) SMN1; SMN2HPGDNPC1RAB9AALDH1A1
SCHEMBL778025 0.73 NPC1 (0.40) SMN1; SMN2HPGDNPC1RAB9ADHODH
SCHEMBL776756 0.73 KMT2A (0.47) SMN1; SMN2HPGDNPC1RAB9AALDH1A1
SCHEMBL443122 0.73 HPGD (0.52) SMN1; SMN2HPGDNPC1RAB9ADHODH

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