SCHEMBL2779795

SCHEMBL2779795

CC(F)(COCC(C)(F)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
TACR1 P25103 1/20 0.41
IDO1 P14902 1/20 0.39
PTPN1 P18031 1/20 0.39
AGXT P21549 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CES1 P23141 1/20 0.37
SLC6A2 P23975 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA1 P00915 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
SCHEMBL3434137 0.79 TSHR (0.48) TSHRTACR1IDO1PTPN1AGXT
SCHEMBL872392 0.78 ALDH1A1 (0.39) TSHRKDM4ETACR1IDO1PTPN1
SCHEMBL18640775 0.76 TSHR (0.56) TSHRKDM4EPOLBTACR1IDO1
SCHEMBL10202767 0.76 TSHR (0.44) TSHRTACR1IDO1PTPN1AGXT
SCHEMBL1065786 0.76 TSHR (0.44) TSHRTACR1IDO1PTPN1AGXT
SCHEMBL10940340 0.74 TSHR (0.52) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL726130 0.74 TSHR (0.52) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL5016440 0.74 TSHR (0.52) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL11625744 0.74 TSHR (0.52) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL267071 0.74 TSHR (0.52) TSHRKDM4EPOLBIDO1PTPN1

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
EP-2155806-A1 PHOSPHAZENE HYDROGELS WITH CHEMICAL CORSS -LINK, PREPARATION METHOD THEREOF AND USE THEREOF Korea Institute of Science and Technology (KR) 2010-02-24 EP disclosed
WO-2008153278-A1 PHOSPHAZENE HYDROGELS WITH CHEMICAL CORSS -LINK, PREPARATION METHOD THEREOF AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-12-18 WO disclosed