SCHEMBL778025

SCHEMBL778025

CC=COP(=O)(O)C(=O)c1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 4/20 0.39
LMNA P02545 1/20 0.38
KMT2A Q03164 2/20 0.37
POLB P06746 2/20 0.37
KCNK3 O14649 1/20 0.37
KCNK9 Q9NPC2 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
DHODH Q02127 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
TYK2 P29597 1/20 0.36
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL778024 0.86 NPC1 (0.41) NPC1RAB9AHPGDLMNAKMT2A
SCHEMBL2258548 0.75 HPGD (0.52) NPC1RAB9AHPGDKMT2APOLB
SCHEMBL778117 0.74 HPGD (0.45) NPC1RAB9AHPGDKMT2APOLB
SCHEMBL777555 0.74 ALDH1A1 (0.44) NPC1RAB9AHPGDLMNAKMT2A
SCHEMBL778023 0.73 SMN1; SMN2 (0.41) NPC1RAB9AHPGDLMNAPOLB
SCHEMBL781190 0.73 NPC1 (0.46) NPC1RAB9AHPGDLMNAKMT2A
SCHEMBL776959 0.73 NPC1 (0.46) NPC1RAB9AHPGDLMNAKMT2A
SCHEMBL3886852 0.72 CYP3A4 (0.33) NPC1RAB9AHPGDLMNAKMT2A
SCHEMBL779313 0.72 HPGD (0.39) NPC1RAB9AHPGDLMNAKMT2A
SCHEMBL776756 0.72 KMT2A (0.47) NPC1RAB9AHPGDLMNAKMT2A

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