SCHEMBL862230

SCHEMBL862230

COC(=O)CCCCCCC1C(OC(C)=O)CC[C@@H]1CO

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
EPHX2 P34913 1/20 0.36
TBXA2R P21731 1/20 0.36
PTGER4 P35408 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
PTGER2 P43116 4/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PPARG P37231 2/20 0.34
NR2E3 Q9Y5X4 2/20 0.34
NCOR2 Q9Y618 2/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 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
SCHEMBL9976698 1.00 TSHR (0.36) TSHREPHX2TBXA2RPTGER4TDP1
SCHEMBL862240 1.00 TSHR (0.36) TSHREPHX2TBXA2RPTGER4TDP1
SCHEMBL11536982 1.00 TSHR (0.36) TSHREPHX2TBXA2RPTGER4TDP1
SCHEMBL9976696 0.81 PTGER2 (0.33) EPHX2TBXA2RPTGER4PTGER2LMNA
SCHEMBL861989 0.81 PTGER2 (0.33) EPHX2TBXA2RPTGER4PTGER2LMNA
SCHEMBL12087933 0.81 TSHR (0.40) TSHREPHX2TBXA2RPTGER4TDP1
SCHEMBL11449596 0.81 ALDH1A1 (0.37) TSHREPHX2TBXA2RPTGER4PTGER2
SCHEMBL9976703 0.81 ALDH1A1 (0.37) TSHREPHX2TBXA2RPTGER4PTGER2
SCHEMBL862426 0.81 ALDH1A1 (0.37) TSHREPHX2TBXA2RPTGER4PTGER2
SCHEMBL11449595 0.81 ALDH1A1 (0.37) TSHREPHX2TBXA2RPTGER4PTGER2

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-8143316-B2 Method for treating peripheral vascular diseases SUCAMPO AG (CH) 2012-03-27 US disclosed