SCHEMBL6280431

SCHEMBL6280431

CCCCN1C=CN(CC(C)O)C1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.33
GLB1 P16278 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
Hydrochloric Acid SCHEMBL6401368 0.98 SPHK1 (0.32) SPHK1GLB1
Hydrochloric Acid SCHEMBL1169520 0.91 SPHK1 (0.38) SPHK1
Hydrochloric Acid SCHEMBL20496014 0.85 GLB1 (0.32) GLB1
Hydrochloric Acid SCHEMBL20496010 0.85 GLB1 (0.32) GLB1
SCHEMBL3772624 0.85 RGS4 (0.34) GLB1
SCHEMBL4905154 0.84 KDM4E (0.33)
SCHEMBL28424023 0.84 SPHK1 (0.36) SPHK1GLB1
SCHEMBL329125 0.82 GLB1 (0.38) GLB1
Hydrochloric Acid SCHEMBL1585289 0.81 ALDH1A1 (0.33) SPHK1GLB1
Bromide SCHEMBL23071102 0.80 GLB1 (0.37) GLB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065020-A1 Ionic liquids containing secondary hydroxyl-groups and a method for their preparation UNIVERSITY OF ALABAMA (US) 2005-03-24 US disclosed
WO-2005026179-A1 IONIC LIQUIDS CONTAINING SECONDARY HYDROXYL-GROUPS AND A METHOD FOR THEIR PREPARATION THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2005-03-24 WO disclosed