SCHEMBL2744545

SCHEMBL2744545

C=C(C)C(=O)NN(CC)CCCCCCCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
CES2 O00748 4/20 0.35
FAAH O00519 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
DNM1 Q05193 3/20 0.34
EPHX1 P07099 4/20 0.34
KDM5A P29375 3/20 0.34
PHF8 Q9UPP1 3/20 0.34
KDM4C Q9H3R0 2/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
CES1 P23141 3/20 0.33
MGLL Q99685 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
Bromide SCHEMBL28446261 0.98 TSHR (0.40) TSHRCES2FAAHTHRATHRB
SCHEMBL28049819 0.87 TGFBR1 (0.32)
SCHEMBL9116946 0.85 CA12 (0.42) TSHRCES2FAAHTHRATHRB
SCHEMBL27525063 0.82 KDM4E (0.37)
SCHEMBL28825757 0.79 CA12 (0.37) TSHR
SCHEMBL2360595 0.79 TSHR (0.37) TSHRCES2FAAHTHRATHRB
SCHEMBL446847 0.76 TSHR (0.36) TSHRCES2FAAHTHRATHRB
SCHEMBL28029776 0.75 TSHR (0.33) TSHR
Hydrochloric Acid SCHEMBL16857677 0.74 TSHR (0.35) TSHRCES2FAAHTHRATHRB
SCHEMBL3279930 0.74 KDM5A (0.40) TSHRFAAHTHRATHRBDNM1

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-8178009-B2 Slurry for secondary battery electrode, electrode for secondary battery, process for production of electrode for secondary battery, and secondary battery SUMITOMO BAKELITE CO., LTD. (JP) 2012-05-15 US disclosed
US-20100075222-A1 SLURRY FOR SECONDARY BATTERY ELECTRODE, ELECTRODE FOR SECONDARY BATTERY, PROCESS FOR PRODUCTION OF ELECTRODE FOR SECONDARY BATTERY, AND SECONDARY BATTERY SUMITOMO BAKELITE CO., LTD. (JP) 2010-03-25 US disclosed