SCHEMBL162017

SCHEMBL162017

C1CNC(CC2OCCO2)CN1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.31
PARP1 P09874 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
SCHEMBL16331 0.72 CYP2D6 (0.32)
SCHEMBL16208 0.72 CYP2D6 (0.32)
SCHEMBL1560524 0.71 LTA4H (0.33) LTA4HPARP1
Hydrochloric Acid SCHEMBL17030 0.71 CYP2D6 (0.32)
Hydrochloric Acid SCHEMBL17029 0.71 CYP2D6 (0.32)
SCHEMBL946397 0.70
SCHEMBL2276644 0.70
SCHEMBL5329747 0.70 CXCR4 (0.37) LTA4HPARP1
SCHEMBL7260250 0.70 CXCR4 (0.37) LTA4HPARP1
SCHEMBL2971314 0.70

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
WO-2012030630-A1 METHOD AND SYSTEM FOR CAPTURING CARBON DIOXIDE AND/OR SULFUR DIOXIDE FROM GAS STREAM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-08 WO claimed
WO-2012030630-A1 METHOD AND SYSTEM FOR CAPTURING CARBON DIOXIDE AND/OR SULFUR DIOXIDE FROM GAS STREAM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-08 WO disclosed