SCHEMBL18139366

SCHEMBL18139366

CCCc1ccccc1OC(=O)CC(C(=O)Oc1ccccc1CCC)S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
PPARD Q03181 1/20 0.41
TSHR P16473 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
RECQL P46063 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36

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
SCHEMBL18139772 0.92 THRA (0.48) THRATHRBPPARDTSHRRECQL
SCHEMBL18139369 0.91 NPSR1 (0.41) THRATHRBPPARDTSHRMTNR1A
SCHEMBL18141019 0.90 TSHR (0.37) THRATHRBTSHRRECQLNPSR1
SCHEMBL18140483 0.90 THRA (0.55) THRATHRBRECQL
SCHEMBL18140521 0.90 THRA (0.55) THRATHRBRECQL
SCHEMBL18139923 0.90 THRA (0.55) THRATHRBRECQL
SCHEMBL18140410 0.90 THRA (0.55) THRATHRBRECQL
SCHEMBL18140123 0.90 THRA (0.55) THRATHRBRECQL
SCHEMBL18139152 0.90 THRA (0.55) THRATHRBRECQL
SCHEMBL18140065 0.90 THRA (0.55) THRATHRBRECQL

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-20180163056-A1 HYDROPHILIC CURABLE COMPOSITIONS MITSUI CHEMICALS, INC. (JP) 2018-06-14 US disclosed
EP-3081578-A1 COMPOSITION FOR HYDROPHILIC CURED PRODUCT Mitsui Chemicals, Inc. (JP) 2016-10-19 EP disclosed