SCHEMBL237620

SCHEMBL237620

CC(C)CC(C)(C#N)SC(=S)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.32
CTSL P07711 3/20 0.32
CTSK P43235 2/20 0.32
CTSB P07858 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C19 P33261 1/20 0.31
AR P10275 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
GAA P10253 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
SCHEMBL237397 0.86 MEN1 (0.35) ARSMN1; SMN2
SCHEMBL3383990 0.83 LMNA (0.38) CTSSCTSLCTSKCYP2D6CYP2C19
SCHEMBL21482392 0.81 LMNA (0.33) CTSSCTSLCTSKCYP2D6SMN1; SMN2
SCHEMBL6548070 0.81 HDAC3 (0.32) CTSSCTSLCTSKSMN1; SMN2NPC1
SCHEMBL4659778 0.78 ESR2 (0.32)
SCHEMBL15669159 0.78 CTSS (0.32) CTSSCTSLCTSKNPC1RAB9A
SCHEMBL235262 0.78 CES2 (0.33) CTSLARGAA
SCHEMBL237868 0.77 ALDH1A1 (0.36) CTSSCTSLCTSKSMN1; SMN2NPC1
SCHEMBL466361 0.77 NR4A2 (0.37) CTSSCTSLCTSKCYP3A4CYP2C19
SCHEMBL14865070 0.77 HDAC3 (0.35) CTSSCTSLCTSKCYP2D6CYP2C19

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 2 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
US-20120004371-A1 CURABLE COMPOSITION CEMEDINE CO., LTD. (JP) 2012-01-05 US disclosed