SCHEMBL3899149

SCHEMBL3899149

CC(CO)OCC(C)OCC(C)OCC(O)CO

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 4/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 2/20 0.33
KDM4E B2RXH2 2/20 0.33
AGTR1 P30556 1/20 0.33
DUSP3 P51452 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
THRB P10828 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL3902429 1.00 TDP1 (0.38) TDP1LMNAUSP2ALDH1A1CYP1A2
SCHEMBL4440314 0.95 LMNA (0.40) TDP1LMNAUSP2ALDH1A1CYP1A2
Glycerin SCHEMBL4594676 0.86 TDP1 (0.48) TDP1LMNAUSP2ALDH1A1MAPK1
SCHEMBL1957694 0.86 TDP1 (0.39) TDP1USP2TSHR
SCHEMBL28649335 0.85 TDP1 (0.38) TDP1
SCHEMBL31016048 0.85 TDP1 (0.38) TDP1
SCHEMBL28648440 0.85 TDP1 (0.38) TDP1
SCHEMBL1575496 0.85 TDP1 (0.38) TDP1
SCHEMBL98126 0.85 TDP1 (0.38) TDP1
SCHEMBL28653627 0.85 TDP1 (0.38) TDP1

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
US-20090176925-A1 DISPERSING AGENT TOAGOSEI CO., LTD. (JP) 2009-07-09 US disclosed
CN-101454073-A Dispersing agent TOAGOSEI CO LTD (JP) 2009-06-10 CN disclosed
EP-2025394-A1 DISPERSING AGENT Toagosei Co., Ltd (JP) 2009-02-18 EP disclosed