SCHEMBL11041981

SCHEMBL11041981

C=C(C)C(=O)OCCN=C=O.CCC=C(S)C(=O)OCCCCCC

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
HTT P42858 2/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
THRB P10828 1/20 0.34
NAAA Q02083 1/20 0.33
HCAR2 Q8TDS4 2/20 0.32
RAD52 P43351 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EPHX1 P07099 1/20 0.31
LMNA P02545 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31

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
SCHEMBL11041234 0.82 TSHR (0.53) TSHRHTTPOLBAPEX1TDP1
SCHEMBL11039648 0.79 TSHR (0.53) TSHRHTTPOLBAPEX1TDP1
SCHEMBL11040626 0.78 TSHR (0.48) TSHRHTTPOLBAPEX1TDP1
SCHEMBL11137061 0.77 TSHR (0.56) TSHRHTTPOLBAPEX1TDP1
SCHEMBL181712 0.77 TSHR (0.59) TSHRHTTPOLBAPEX1TDP1
SCHEMBL2483259 0.77 TSHR (0.59) TSHRHTTPOLBAPEX1TDP1
SCHEMBL5362558 0.77 TSHR (0.59) TSHRHTTPOLBAPEX1TDP1
SCHEMBL2481162 0.77 TSHR (0.59) TSHRHTTPOLBAPEX1TDP1
SCHEMBL17780845 0.77 TSHR (0.59) TSHRHTTPOLBAPEX1TDP1
SCHEMBL1850039 0.77 TSHR (0.59) TSHRHTTPOLBAPEX1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4446175-A ACRYLATE, CHAIN TRANSFER E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-05-01 US claimed
US-4436885-A Preparation of isocyanate-functional polymers containing a terminal monosulfide group E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-03-13 US claimed
US-4351755-A MOISTURE CURABLE COATINGS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-09-28 US claimed