SCHEMBL17776281

SCHEMBL17776281

O=C(I)CCOCCOCCOCCOCCOCCC(=O)I

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 2/20 0.35
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
MAPK1 P28482 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
SCHEMBL17776413 1.00 MEN1 (0.35) MEN1KMT2ATSHRALDH1A1TP53
SCHEMBL23937575 0.87 ALDH1A1 (0.41) TSHRALDH1A1
SCHEMBL16665814 0.87 ALDH1A1 (0.37) TSHRALDH1A1
SCHEMBL23768523 0.87
SCHEMBL16665812 0.87 ALDH1A1 (0.37) TSHRALDH1A1
SCHEMBL16557254 0.83 MEN1 (0.35) MEN1KMT2A
SCHEMBL20353236 0.82 MEN1 (0.38) MEN1KMT2A
SCHEMBL22423220 0.82 LMNA (0.40) MEN1KMT2A
SCHEMBL17776400 0.82 TSHR (0.52) TSHR
SCHEMBL19658294 0.82 TSHR (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017205191-A1 INSULIN RECEPTOR PARTIAL AGONISTS AND GLP-1 ANALOGUES MERCK SHARP & DOHME CORP. (US) 2017-11-30 WO disclosed
WO-2016081670-A2 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2016-05-26 WO disclosed