SCHEMBL27508951

SCHEMBL27508951

O=C(OC1CCCN1)OC1CCCN1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
NOS2 P35228 2/20 0.33
PRCP P42785 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
DPP4 P27487 1/20 0.32
ARG1 P05089 1/20 0.32
SLC6A1 P30531 2/20 0.32
SLC6A11 P48066 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A13 Q9NSD5 1/20 0.32

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
SCHEMBL2330804 0.91 SLC6A3 (0.36) MEN1BLMKMT2ATSHRLMNA
SCHEMBL6223489 0.91 SLC6A3 (0.36) MEN1BLMKMT2ATSHRLMNA
SCHEMBL9998422 0.91 EPHX1 (0.36) MEN1KMT2ATSHRLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL902096 0.89 ALDH1A1 (0.38) TSHRLMNA
Ammonia Solution, Strong SCHEMBL16191692 0.89 EPHX1 (0.35) MEN1KMT2ATSHRLMNASMN1; SMN2
SCHEMBL27731852 0.85 KMT2A (0.40) MEN1BLMKMT2ANOS2NOS3
SCHEMBL9685631 0.85 SLC6A3 (0.42) TSHRLMNA
SCHEMBL18835349 0.85 MEN1 (0.38) MEN1BLMKMT2AARG1SLC6A1
Hydrochloric Acid SCHEMBL8933166 0.83 SLC6A3 (0.43) TSHRLMNA
SCHEMBL1847352 0.83

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-100554256-C Quaternary ammonium salt, electrolyte and electrochemical device OTSUKA CHEMICAL CO LTD (JP) 2009-10-28 CN disclosed
CN-1802362-A Quaternary ammonium salt, electrolyte and electrochemical device OTSUKA CHEMICAL CO LTD (JP) 2006-07-12 CN disclosed
CN-1033031-C Modified gangliosides and functional derivatives thereof FIDIA SPA (IT) 1996-10-16 CN disclosed
CN-1051912-A Improved gangliosides and functional derivatives thereof FIDIA B P A (IT) 1991-06-05 CN disclosed