SCHEMBL2853221

SCHEMBL2853221

CCOC(=O)CCSCCI

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
TSHR P16473 2/20 0.42
ALDH1A1 P00352 5/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
TRPA1 O75762 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
HPGD P15428 2/20 0.38
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 2/20 0.36
NR1I2 O75469 1/20 0.36
PGR P06401 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
SCHEMBL111821 0.89 GAA (0.52) CYP1A2GAAMGAMSIMGAM2
SCHEMBL15360326 0.83 CYP1A2 (0.47) CYP1A2GAAMGAMSIMGAM2
SCHEMBL13901847 0.82 TDP1 (0.48) CYP1A2GAAMGAMSIMGAM2
SCHEMBL10973191 0.82 CYP1A2 (0.45) CYP1A2GAAMGAMSIMGAM2
SCHEMBL5016265 0.82 LMNA (0.58) CYP1A2GAAMGAMSIMGAM2
SCHEMBL15948648 0.81 CYP1A2 (0.48) CYP1A2GAAMGAMSIMGAM2
SCHEMBL8506009 0.81 CYP1A2 (0.48) CYP1A2GAAMGAMSIMGAM2
SCHEMBL9619476 0.80 CYP1A2 (0.44) CYP1A2GAAMGAMSIMGAM2
SCHEMBL11661646 0.80 TSHR (0.50) CYP1A2GAAMGAMSIMGAM2
SCHEMBL9509219 0.79 TSHR (0.51) CYP1A2GAAMGAMSIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1211242-B1 PROSTAGLANDIN DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2010-01-13 EP disclosed
CN-1222509-C Prostaglandin derivs. TAISHO PHARMACEUTICAL CO LTD (JP) 2005-10-12 CN disclosed
US-6740772-B1 Prostaglandin derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-05-25 US disclosed
CN-1373752-A Prostaglandin derivs. TAISHO PHARMACEUTICAL CO LTD (JP) 2002-10-09 CN disclosed
EP-1211242-A1 PROSTAGLANDIN DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2002-06-05 EP disclosed