SCHEMBL27612293

SCHEMBL27612293

O=C(ONC1CCCCC1)c1ccc(C(=O)ONC2CCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
ALDH1A1 P00352 2/20 0.50
EPHX2 P34913 1/20 0.50
KMT2A Q03164 4/20 0.48
CYP1A2 P05177 3/20 0.48
MEN1 O00255 3/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 1/20 0.48
RAB9A P51151 5/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.44
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.44
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL28373729 0.93 EPHX2 (0.50) NPC1SMN1; SMN2ALDH1A1EPHX2KMT2A
SCHEMBL601901 0.91 KMT2A (0.55) NPC1SMN1; SMN2ALDH1A1EPHX2KMT2A
Hydrochloric Acid SCHEMBL10905001 0.90 KMT2A (0.54) NPC1SMN1; SMN2ALDH1A1EPHX2KMT2A
SCHEMBL8940400 0.90 KMT2A (0.54) NPC1SMN1; SMN2ALDH1A1EPHX2KMT2A
SCHEMBL27972156 0.81 PTPRF (0.47) NPC1ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL27581290 0.81 KMT2A (0.58) NPC1SMN1; SMN2ALDH1A1EPHX2KMT2A
Formic Acid SCHEMBL28148696 0.81 SCN1A (0.40) NPC1SMN1; SMN2ALDH1A1EPHX2KMT2A
SCHEMBL28369554 0.77 SMN1; SMN2 (0.48) NPC1SMN1; SMN2ALDH1A1EPHX2KMT2A
SCHEMBL28239039 0.76 ALDH1A1 (0.60) NPC1SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL4420776 0.75 SMN1; SMN2 (0.60) NPC1SMN1; SMN2ALDH1A1KMT2AMEN1

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
CN-110927137-B Single-benzene-ring framework-based cell lipid drop fluorescence imaging probe and application thereof 吉林大学 2021-04-27 CN disclosed
CN-110927137-A Single-benzene-ring framework-based cell lipid drop fluorescence imaging probe and application thereof 吉林大学 2020-03-27 CN disclosed
CN-1981248-A Solar timepiece dial and timepiece SEIKO EPSON CORP (JP) 2007-06-13 CN disclosed
CN-1574413-A Identifier for batterry, batterry and battery pack SONY CORP (JP) 2005-02-02 CN disclosed