SCHEMBL2522937

SCHEMBL2522937

C=C(C)C(=O)OCCCCCC(C)C(=O)OCCCCOC(=O)C(=C)C

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
THRB P10828 1/20 0.44
ALDH1A1 P00352 4/20 0.35
CYP3A4 P08684 1/20 0.33
CA1 P00915 2/20 0.32
NAAA Q02083 1/20 0.32
FAAH O00519 1/20 0.31
RAD52 P43351 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TRPV1 Q8NER1 1/20 0.30
EPHX1 P07099 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
SCHEMBL15064928 0.91 TSHR (0.53) TSHRPOLBAPEX1HTTTDP1
SCHEMBL10000877 0.91 TSHR (0.50) TSHRPOLBAPEX1HTTTDP1
SCHEMBL5052712 0.86 TSHR (0.56) TSHRPOLBAPEX1HTTTDP1
SCHEMBL19991477 0.86 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1
SCHEMBL2458485 0.86 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1
SCHEMBL36424 0.86 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1
SCHEMBL31069909 0.86 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1
SCHEMBL216465 0.86 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1
SCHEMBL30338 0.86 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1
SCHEMBL20503431 0.86 TSHR (0.65) 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-8039664-B2 Method for producing butanediol dimethacrylates EVONIK ROEHM GMBH (DE) 2011-10-18 US disclosed
US-20100197955-A1 METHOD FOR PRODUCING BUTANEDIOL DIMETHACRYLATES EVONIK ROEHM GMBH (DE) 2010-08-05 US disclosed