SCHEMBL11048732

SCHEMBL11048732

O=C(O)CCNCCC[N+]1([O-])CCCC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 2/20 0.41
LTA4H P09960 2/20 0.33
S1PR1 P21453 4/20 0.33
S1PR3 Q99500 2/20 0.33
S1PR5 Q9H228 1/20 0.31
TERT O14746 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PLA2G2A P14555 1/20 0.30

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
SCHEMBL9372219 0.81 BBOX1 (0.59) BBOX1CYP1A2MAPK1SMN1; SMN2
SCHEMBL3189969 0.75 BBOX1 (0.45) BBOX1TERTCYP1A2MAPK1SMN1; SMN2
SCHEMBL7504802 0.73 BBOX1 (0.42) BBOX1TERTCYP1A2MAPK1SMN1; SMN2
SCHEMBL12935681 0.72 PRMT1 (0.48) LTA4HS1PR1S1PR3S1PR5
SCHEMBL5014934 0.72 LMNA (0.47) LTA4HS1PR1S1PR3S1PR5CYP1A2
SCHEMBL30407212 0.70 PRMT1 (0.46) LTA4HS1PR1S1PR3S1PR5
SCHEMBL7389117 0.70 LMNA (0.53) LTA4HS1PR1S1PR3CYP1A2
SCHEMBL2804324 0.70 PRMT1 (0.52) LTA4HS1PR1S1PR3S1PR5MAPK1
SCHEMBL109879 0.69 LMNA (0.53) LTA4HMAPK1
SCHEMBL5035377 0.67 LMNA (0.50) LTA4HMAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4488942-A Zinc and zinc alloy electroplating bath and process OMI INTERNATIONAL CORPORATION (US) 1984-12-18 US disclosed