SCHEMBL238705

SCHEMBL238705

Fc1ccc(C(=S)SSC(=S)c2ccc(F)cc2F)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.54
CES1 P23141 3/20 0.54
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GPR6 P46095 1/20 0.36
SNCA P37840 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL9587458 0.77 CES2 (0.58) CES2CES1CA3CA6CA5A
SCHEMBL20560156 0.76 CES2 (0.56) CES2CES1CA3CA6CA5A
SCHEMBL2034076 0.76 CES2 (0.56) CES2CES1CA3CA6CA5A
SCHEMBL16527077 0.76 CES2 (0.56) CES2CES1CA3CA6CA5A
SCHEMBL3079891 0.75 CES2 (0.50) CES2CES1ALDH1A1L3MBTL1GPR6
SCHEMBL7612594 0.73 CES2 (0.71) CES2CES1L3MBTL1SNCANPC1
SCHEMBL165619 0.71 CES2 (0.68) CES2CES1ALDH1A1L3MBTL1SNCA
SCHEMBL8070666 0.70 CES2 (1.00) CES2CES1L3MBTL1SNCANPC1
SCHEMBL13291390 0.70 CES2 (0.74) CES2CES1L3MBTL1SNCANPC1
SCHEMBL18242037 0.70 CES2 (0.60) CES2CES1CA3CA6CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745406-B2 Curable composition CEMEDINE CO., LTD. (JP) 2017-08-29 US disclosed
EP-2412756-B1 CURABLE COMPOSITION CEMEDINE CO LTD (JP) 2016-12-21 EP disclosed
EP-2412756-A1 CURABLE COMPOSITION CEMEDINE CO., LTD. (JP) 2012-02-01 EP disclosed
US-20120004371-A1 CURABLE COMPOSITION CEMEDINE CO., LTD. (JP) 2012-01-05 US disclosed