SCHEMBL14566927

SCHEMBL14566927

CCC(C)OC(=O)CCCS(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.44
▸ LMNA P02545 3/20 0.42
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA3 P07451 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA6 P23280 1/20 0.40
▸ CA5A P35218 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA13 Q8N1Q1 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ CA5B Q9Y2D0 1/20 0.40
▸ TLR2 O60603 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ APP P05067 1/20 0.33
▸ PRKCA P17252 1/20 0.32

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
SCHEMBL17527561 0.89 CA12 (0.42) EPHX2LMNACA12CA1CA2
SCHEMBL6128324 0.85 EPHX2 (0.48) EPHX2LMNAMAPTALDH1A1PRKCA
SCHEMBL10554751 0.82 LMNA (0.57) EPHX2LMNACA12CA1CA2
SCHEMBL6231000 0.82 LMNA (0.52) EPHX2LMNACA12CA1CA2
SCHEMBL7768019 0.81 LMNA (0.61) EPHX2LMNAMAPTMAPK1ALDH1A1
SCHEMBL11041078 0.81 LMNA (0.61) EPHX2LMNAMAPTMAPK1ALDH1A1
SCHEMBL2689971 0.79 LMNA (0.59) EPHX2LMNAMAPTMAPK1ALDH1A1
SCHEMBL2982658 0.79 LMNA (0.59) EPHX2LMNAMAPTMAPK1ALDH1A1
SCHEMBL2988368 0.79 LMNA (0.59) EPHX2LMNAMAPTMAPK1ALDH1A1
SCHEMBL645070 0.78 CA12 (0.45) EPHX2LMNACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189500-B2 Photothermographic image-recording material FUJI PHOTO FILM CO., LTD. (JP) 2007-03-13 — — US disclosed
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