SCHEMBL5490746

SCHEMBL5490746

C=CCO[C@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.44
SLC6A2 P23975 1/20 0.39
ACHE P22303 1/20 0.39
PDPK1 O15530 1/20 0.36
MTOR P42345 1/20 0.36
ALOX15 P16050 1/20 0.35
SSTR5 P35346 2/20 0.33
CYP3A4 P08684 1/20 0.33
SSTR1 P30872 1/20 0.33
SSTR2 P30874 1/20 0.33
SSTR4 P31391 1/20 0.33
SSTR3 P32745 1/20 0.33
GJB2 P29033 1/20 0.32
HRAS P01112 1/20 0.32
FGF1 P05230 1/20 0.32
FGF2 P09038 1/20 0.32
VEGFA P15692 1/20 0.32
HPSE Q9Y251 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
SCHEMBL15654185 0.93 BCHE (0.44) BCHESLC6A2ACHEPDPK1MTOR
SCHEMBL1742927 0.90 BCHE (0.44) BCHESLC6A2ACHEPDPK1MTOR
SCHEMBL26759994 0.90 SLC6A2 (0.44) BCHESLC6A2ACHEPDPK1MTOR
SCHEMBL23867795 0.90 SLC6A2 (0.44) BCHESLC6A2ACHEPDPK1MTOR
SCHEMBL28613379 0.90 SLC6A2 (0.44) BCHESLC6A2ACHEPDPK1MTOR
SCHEMBL2467856 0.89 BCHE (0.41) BCHESLC6A2ACHEPDPK1MTOR
SCHEMBL1034642 0.88 BCHE (0.44) BCHESLC6A2ACHEPDPK1MTOR
SCHEMBL23867791 0.87 BCHE (0.40) BCHESLC6A2ACHEPDPK1MTOR
SCHEMBL7903447 0.86 SSTR1 (0.39) BCHESLC6A2ACHEPDPK1MTOR
SCHEMBL23867779 0.84 BCHE (0.38) BCHESLC6A2ACHEPDPK1MTOR

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-1856530-A2 FLUOROUS-BASED MICROARRAYS Iowa State University Research Foundation, Inc. (US) 2007-11-21 EP disclosed
WO-2006094194-A2 FLUOROUS-BASED MICROARRAYS IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2006-09-08 WO disclosed
US-20060199211-A1 Fluorous-based microarrays IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2006-09-07 US disclosed