SCHEMBL1115342

SCHEMBL1115342

C=CCS(=O)(=O)OC(=O)CCC(=O)OCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
DGKA P23743 1/20 0.37
ADRA2A P08913 1/20 0.35
ADRA1A P35348 1/20 0.35
MAPT P10636 4/20 0.34
BLM P54132 1/20 0.34
HTR2C P28335 1/20 0.34
MGLL Q99685 1/20 0.34
ALDH1A1 P00352 3/20 0.33
THRB P10828 1/20 0.33
CNR1 P21554 1/20 0.33
HPGD P15428 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
DNM1 Q05193 1/20 0.32
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPK1 P28482 1/20 0.31
GLA P06280 1/20 0.31
TOP2A P11388 1/20 0.30
NAAA Q02083 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
SCHEMBL1115574 0.91 TSHR (0.45) TSHRDGKAMAPTHTR2CMGLL
SCHEMBL8586144 0.84 ALDH1A1 (0.31) ALDH1A1LMNA
SCHEMBL20741927 0.79 TSHR (0.56) TSHRDGKAMAPTALDH1A1DNM1
SCHEMBL27208999 0.78 EGLN1 (0.35) TSHRMAPTBLMLMNA
SCHEMBL8911328 0.78
SCHEMBL28595272 0.75 BBOX1 (0.32)
SCHEMBL20589 0.74 DGKA (0.58) TSHRDGKAADRA2AADRA1AMAPT
SCHEMBL515043 0.73 TSHR (0.47) TSHRDGKAADRA2AADRA1AMAPT
SCHEMBL11363845 0.71
SCHEMBL514827 0.70 TSHR (0.53) TSHRDGKAMAPTHTR2CMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1744222-B1 Toner, developer, image forming method, and toner container RICOH CO LTD (JP) 2011-02-02 EP disclosed
US-7629099-B2 Toner, developer, image forming method, and toner container RICOH COMPANY LIMITED (JP) 2009-12-08 US disclosed
US-20070015077-A1 Toner, developer, image forming method, and toner container RICOH COMPANY LIMITED (JP) 2007-01-18 US disclosed
EP-1744222-A2 Toner, developer, image forming method, and toner container Ricoh Company, Ltd. (JP) 2007-01-17 EP disclosed