SCHEMBL6888892

SCHEMBL6888892

C=C(NC(C)=O)C(=O)OCCCCCCCCOC(=O)C(=C)NC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 1/20 0.38
EPHX1 P07099 1/20 0.37
THRB P10828 1/20 0.37
ACHE P22303 8/20 0.36
NAAA Q02083 1/20 0.35
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
FAAH O00519 1/20 0.33

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
SCHEMBL6887589 1.00 TSHR (0.53) TSHRPOLBAPEX1HTTTDP1
SCHEMBL6884635 0.98 TSHR (0.50) TSHRPOLBAPEX1HTTTDP1
SCHEMBL6660361 0.89 TSHR (0.55) TSHRTDP1ALDH1A1EPHX1THRB
SCHEMBL6657275 0.84 TSHR (0.44) TSHRPOLBHTTTDP1ALDH1A1
SCHEMBL335110 0.79 MAPT (0.52) TSHRHTTALDH1A1THRBNPSR1
SCHEMBL22554404 0.76 TSHR (0.83) TSHRPOLBAPEX1HTTTDP1
SCHEMBL22554429 0.76 TSHR (0.83) TSHRPOLBAPEX1HTTTDP1
SCHEMBL22554427 0.76 TSHR (0.83) TSHRPOLBAPEX1HTTTDP1
SCHEMBL22554413 0.76 TSHR (0.83) TSHRPOLBAPEX1HTTTDP1
SCHEMBL22554406 0.76 TSHR (0.83) TSHRPOLBAPEX1HTTTDP1

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-20040234954-A1 Surfaces that selectively bind to moieties NATIONAL SCIENCE FOUNDATION 2004-11-25 US disclosed
US-6486344-B1 Polymer coatings with improved adhesion properties on metallic surfaces MASSACHUSETTS, UNIVERSITY OF 2002-11-26 US disclosed