SCHEMBL19277262

SCHEMBL19277262

CCC(C(=O)OCCC#N)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DPP4 P27487 3/20 0.37
CTSS P25774 2/20 0.33
CTSK P43235 2/20 0.33
TSHR P16473 1/20 0.31

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
SCHEMBL10065735 0.84 MEN1 (0.35) MEN1KMT2ADPP4CTSSCTSK
SCHEMBL13536915 0.83 CTSS (0.35) MEN1KMT2ADPP4CTSSCTSK
SCHEMBL13114599 0.77 MEN1 (0.39) MEN1KMT2ADPP4CTSSCTSK
SCHEMBL19117208 0.77 MEN1 (0.40) MEN1KMT2ADPP4TSHR
SCHEMBL19881289 0.77 MEN1 (0.36) MEN1KMT2ADPP4
SCHEMBL22925188 0.76 MEN1 (0.37) MEN1KMT2ADPP4CTSSCTSK
SCHEMBL10176903 0.76 MEN1 (0.39) MEN1KMT2ADPP4TSHR
SCHEMBL10033495 0.76 MEN1 (0.39) MEN1KMT2ADPP4TSHR
SCHEMBL22115751 0.76 TSHR (0.36) TSHR
SCHEMBL15870519 0.76 ALDH1A1 (0.48) TSHR

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
WO-2017141932-A1 POLYMER COMPOUND, COMPOSITION, INSULATING LAYER, AND ORGANIC THIN-FILM TRANSISTOR 住友化学株式会社 2017-08-24 WO disclosed