SCHEMBL14898144

SCHEMBL14898144

NCc1cccc(C2CCN(C(=O)c3cc4ccc(O)c(I)c4oc3=O)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 13/20 0.51
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL1668852 0.91 TPSAB1 (0.52) TPSAB1ALDH1A1HPGDHSD17B10
SCHEMBL15780747 0.86 TPSAB1 (0.52) TPSAB1ALDH1A1HPGDHSD17B10
SCHEMBL1670884 0.84 TPSAB1 (0.53) TPSAB1
SCHEMBL14898120 0.81 TPSAB1 (0.52) TPSAB1
SCHEMBL13830744 0.77 TPSAB1 (0.60) TPSAB1
SCHEMBL1668361 0.77 TPSAB1 (0.54) TPSAB1
SCHEMBL13830408 0.77 TPSAB1 (0.62) TPSAB1
Trifluoroacetic Acid SCHEMBL4406739 0.77 TPSAB1 (0.62) TPSAB1
SCHEMBL14898141 0.76 TPSAB1 (0.61) TPSAB1
SCHEMBL1668582 0.75 TPSAB1 (0.60) TPSAB1

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
WO-2013058824-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY (US) 2013-04-25 WO disclosed