SCHEMBL819929

SCHEMBL819929

OC(CCCOCC1CO1)COCC1CO1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 5/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPK1 P28482 1/20 0.36
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
CYP2D6 P10635 2/20 0.32
MEN1 O00255 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
PDK1 Q15118 1/20 0.31
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
HRH1 P35367 1/20 0.30
USP2 O75604 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
SCHEMBL27918973 0.89 TSHR (0.52) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL13331284 0.84 ALDH1A1 (0.66) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL216984 0.82 TSHR (0.50) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL819488 0.82 TSHR (0.46) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL28736719 0.81 ALDH1A1 (0.45) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL16743631 0.81 TSHR (0.52) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL15036528 0.81 TSHR (0.52) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL27051341 0.81 TSHR (0.48) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL6535136 0.80 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL27458673 0.80 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513334-B2 Functionalized polyurethane polyurea dispersions BAYER MATERIALSCIENCE AG (DE) 2013-08-20 US disclosed
EP-2398835-B1 FUNCTIONALIZED POLYURETHANE POLYUREA DISPERSIONS BAYER MATERIALSCIENCE AG (DE) 2012-12-19 EP disclosed
EP-2398835-A1 FUNCTIONALIZED POLYURETHANE POLYUREA DISPERSIONS Bayer MaterialScience AG (DE) 2011-12-28 EP disclosed
US-20110288204-A1 FUNCTIONALIZED POLYURETHANE POLYUREA DISPERSIONS BAYER MATERIAL SCIENCE AG (DE) 2011-11-24 US disclosed
WO-2010094417-A1 FUNCTIONALIZED POLYURETHANE POLYUREA DISPERSIONS BAYER MATERIALSCIENCE AG (DE) 2010-08-26 WO disclosed
EP-2221330-A1 Functionalised polyurethane polyuric dispersions Bayer MaterialScience AG (DE) 2010-08-25 EP disclosed