SCHEMBL10089445

SCHEMBL10089445

CCC(C)(CO)COCC(C)(C)COCC1COC(C)(CCc2ccccc2)O1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL15218247 0.77 MEN1 (0.38) MAPK1MEN1LMNAKMT2A
SCHEMBL15218248 0.74 MEN1 (0.40) MEN1LMNAKMT2A
SCHEMBL24065843 0.69 LMNA (0.43) TSHRMEN1LMNAKMT2A
SCHEMBL10089427 0.66 ALDH1A1 (0.37) TSHRMAPK1MEN1KMT2A
SCHEMBL25188962 0.65 NPC1 (0.43) LMNAKMT2A
SCHEMBL28056762 0.64 SIGMAR1 (0.46) MEN1KMT2A
SCHEMBL15956068 0.61 ALDH1A1 (0.43) TSHRMEN1LMNAKMT2A
SCHEMBL15955791 0.61 MGLL (0.44) MEN1LMNAKMT2A
SCHEMBL15956109 0.61 MGLL (0.42)
SCHEMBL5606199 0.61 TMEM97 (0.48) TSHRLMNA

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-2012027717-A2 FLOURESCENCE LABELING REAGENTS AND USES THEREOF THE TEXAS A&M UNIVERSITY SYSTEM (US) 2012-03-01 WO disclosed