SCHEMBL8775678

SCHEMBL8775678

CC(O)(S)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ALDH1A1 P00352 3/20 0.44
IDO1 P14902 1/20 0.41
AGXT P21549 1/20 0.40
SLC6A2 P23975 3/20 0.39
SLC6A3 Q01959 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
PTGS1 P23219 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS2 P35354 1/20 0.39
HIF1A Q16665 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
CA7 P43166 2/20 0.39
LIPE Q05469 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL1356758 0.83 TSHR (0.48) TSHRALDH1A1IDO1AGXTSLC6A2
SCHEMBL23072564 0.83 TSHR (0.48) TSHRALDH1A1IDO1AGXTSLC6A2
SCHEMBL29219340 0.79 TSHR (0.44) TSHRALDH1A1IDO1AGXTSLC6A2
SCHEMBL726130 0.78 TSHR (0.52) TSHRALDH1A1IDO1AGXTSLC6A2
SCHEMBL11625744 0.78 TSHR (0.52) TSHRALDH1A1IDO1AGXTSLC6A2
SCHEMBL10940340 0.78 TSHR (0.52) TSHRALDH1A1IDO1AGXTSLC6A2
SCHEMBL5016440 0.78 TSHR (0.52) TSHRALDH1A1IDO1AGXTSLC6A2
SCHEMBL14660269 0.78 TSHR (0.43) TSHRALDH1A1IDO1AGXTSLC6A2
SCHEMBL11249114 0.78 KDM4E (0.46) TSHRALDH1A1IDO1AGXTSLC6A2
SCHEMBL15012421 0.78 KDM4E (0.46) TSHRALDH1A1IDO1AGXTSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0513358-B1 PROCESS FOR PRODUCING CYCLODEXTRIN DERIVATIVE AND POLYMER CONTAINING CYCLODEXTRIN IMMOBILIZED THEREIN TOPPAN PRINTING CO LTD (JP) 1997-10-01 EP disclosed
US-5608015-A Processes for producing cyclodextrin derivatives and polymers containing immobilized cyclodextrin therein TOPPAN PRINTING CO., LTD. (JP) 1997-03-04 US disclosed
EP-0513358-A1 PROCESS FOR PRODUCING CYCLODEXTRIN DERIVATIVE AND POLYMER CONTAINING CYCLODEXTRIN IMMOBILIZED THEREIN Toppan Printing Co., Ltd. (JP) 1992-11-19 EP disclosed