SCHEMBL961222

SCHEMBL961222

CCOC(C(=O)OCCOCCOC(=O)C(OCC)C(O)C(O)C(O)CO)C(O)C(O)C(O)CO

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 3/20 0.35
PDE4A P27815 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
USP2 O75604 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
THRB P10828 1/20 0.32
KDM4E B2RXH2 2/20 0.32
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 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
SCHEMBL964815 1.00 LMNA (0.35) LMNAL3MBTL1ALDH1A1TSHRPDE4A
SCHEMBL5085107 0.95 LMNA (0.39) LMNAL3MBTL1ALDH1A1TSHRPDE4A
SCHEMBL17870921 0.84 ALDH1A1 (0.32) ALDH1A1TSHRTHRB
SCHEMBL23357664 0.83 NAAA (0.41) LMNAALDH1A1TSHRUSP2KDM4E
SCHEMBL7540423 0.81 LMNA (0.35) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL5689033 0.78 LMNA (0.33) LMNAL3MBTL1ALDH1A1PDE4ATDP1
SCHEMBL1133839 0.78 PDE4A (0.50) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL4850735 0.76 LMNA (0.34) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL5173596 0.76 PDE4A (0.48) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL3899113 0.75 LMNA (0.48) LMNAL3MBTL1PDE4ATDP1USP2

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-20110021697-A1 METHODS FOR PREPARING POLYETHER ESTER ELASTOMER COMPOSITION E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-01-27 US disclosed
WO-2008054777-A2 POLYETHER ESTER ELASTOMER COMPOSITION E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-05-08 WO disclosed
US-20080103217-A1 Polyether ester elastomer composition E. I. DU PONT DE NEMOURS AND COMPANY 2008-05-01 US disclosed