SCHEMBL235262

SCHEMBL235262

CC(C)CC(C)(C#N)SC(=S)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.33
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.31
CTSL P07711 1/20 0.31
RAPGEF3 O95398 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
GPBAR1 Q8TDU6 2/20 0.31
AR P10275 1/20 0.30

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
SCHEMBL237620 0.78 CTSS (0.32) GAACTSLAR
SCHEMBL237397 0.76 MEN1 (0.35) AR
SCHEMBL237367 0.72 CES2 (0.36) CES2CYP2C9TSHRGAACTSL
SCHEMBL4307602 0.60 CES2 (0.50) CES2CYP2C9TSHRGAARAPGEF3
SCHEMBL28057001 0.60 CYP19A1 (0.41) CES2RAPGEF3RAPGEF4AR
SCHEMBL23621087 0.60 CES2 (0.48) CES2GAARAPGEF3RAPGEF4
SCHEMBL21609834 0.59 CES2 (0.48) CES2GAARAPGEF3RAPGEF4
SCHEMBL30056963 0.59 CES2 (0.48) CES2GAARAPGEF3RAPGEF4
SCHEMBL28510841 0.58 CES2 (0.47) CES2GAARAPGEF3RAPGEF4GPBAR1
SCHEMBL21610861 0.58 CYP19A1 (0.35) CES2RAPGEF3RAPGEF4GPBAR1

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