SCHEMBL16005116

SCHEMBL16005116

CCOCCOCCOCCOCC1CO1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.63
TSHR P16473 5/20 0.60
ALDH1A1 P00352 10/20 0.59
TDP1 Q9NUW8 2/20 0.59
MAPK1 P28482 1/20 0.48
PDK1 Q15118 2/20 0.34
GLA P06280 1/20 0.33
TP53 P04637 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARG P37231 1/20 0.32
HIF1A Q16665 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
SCHEMBL16004871 1.00 SMN1; SMN2 (0.63) SMN1; SMN2TSHRALDH1A1TDP1MAPK1
SCHEMBL16005115 1.00 SMN1; SMN2 (0.63) SMN1; SMN2TSHRALDH1A1TDP1MAPK1
SCHEMBL16005031 1.00 SMN1; SMN2 (0.63) SMN1; SMN2TSHRALDH1A1TDP1MAPK1
SCHEMBL9747530 1.00 SMN1; SMN2 (0.63) SMN1; SMN2TSHRALDH1A1TDP1MAPK1
SCHEMBL1477234 1.00 SMN1; SMN2 (0.63) SMN1; SMN2TSHRALDH1A1TDP1MAPK1
SCHEMBL21219016 0.98 SMN1; SMN2 (0.65) SMN1; SMN2TSHRALDH1A1TDP1MAPK1
SCHEMBL471904 0.98 SMN1; SMN2 (0.65) SMN1; SMN2TSHRALDH1A1TDP1MAPK1
SCHEMBL14256245 0.91 SMN1; SMN2 (0.70) SMN1; SMN2TSHRALDH1A1TDP1MAPK1
SCHEMBL23041402 0.89 TSHR (0.78) SMN1; SMN2TSHRALDH1A1TDP1MAPK1
SCHEMBL13583289 0.88 TSHR (0.75) SMN1; SMN2TSHRALDH1A1TDP1MAPK1

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-2014135317-A1 BRANCHED POLYCARBOXYLATE ETHERS CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2014-09-12 WO disclosed
EP-2774941-A1 Branched polycarboxylate ethers Construction Research & Technology GmbH (DE) 2014-09-10 EP disclosed