SCHEMBL6949563

SCHEMBL6949563

C[Si](C)(C)C#Cc1ccc(OCC(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.65
ALOX15 P16050 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 3/20 0.49
TSHR P16473 1/20 0.47
NR4A1 P22736 1/20 0.47
APEX1 P27695 1/20 0.47
PTPN7 P35236 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PTPN12 Q05209 1/20 0.46
MCL1 Q07820 1/20 0.44
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL15895056 0.84 PTGS2 (0.49) FFAR1SMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL1550667 0.79 FFAR1 (0.74) FFAR1ALOX15SMN1; SMN2ALDH1A1TSHR
SCHEMBL1551003 0.79 FFAR1 (1.00) FFAR1ALOX15SMN1; SMN2ALDH1A1PTPN7
SCHEMBL339492 0.78 ALOX15 (0.81) FFAR1ALOX15SMN1; SMN2ALDH1A1TSHR
SCHEMBL3447198 0.77 FFAR1 (0.65) FFAR1ALDH1A1TSHRLMNA
SCHEMBL1550206 0.77 FFAR1 (0.77) FFAR1ALOX15SMN1; SMN2ALDH1A1PTPN7
SCHEMBL17658755 0.77 LMNA (0.60) SMN1; SMN2ALDH1A1MEN1KMT2AMAPK1
SCHEMBL3644441 0.77 NQO1 (0.56) SMN1; SMN2ALDH1A1TSHRMEN1KMT2A
SCHEMBL3002630 0.76 APP (0.49) SMN1; SMN2ALDH1A1
SCHEMBL6881765 0.76 LMNA (0.50) SMN1; SMN2ALDH1A1TSHRMAPTMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0967205-B1 Labeling reactants and their use WALLAC OY (FI) 2003-09-17 EP disclosed
US-6080839-A FOR LABELING OF A BIOSPECIFIC BINDING REACTANT USING SOLID-PHASE SYNTHESIS; LANTHANIDE CHELATES WALLAC OY (FI) 2000-06-27 US disclosed
EP-0967205-A1 Labeling reactants and their use WALLAC OY (FI) 1999-12-29 EP disclosed