SCHEMBL5443446

SCHEMBL5443446

C=CCCCC=CCOCCOC(=O)C=CCCC(=O)OCCOCC=CCCCC=C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
ALDH1A1 P00352 6/20 0.37
TSHR P16473 4/20 0.37
TP53 P04637 2/20 0.37
HIF1A Q16665 2/20 0.37
HSD17B10 Q99714 1/20 0.37
EPHX2 P34913 1/20 0.34
LMNA P02545 2/20 0.33
CYP3A4 P08684 2/20 0.33
USP2 O75604 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MGLL Q99685 1/20 0.33
THRB P10828 2/20 0.32
CNR1 P21554 1/20 0.32
NR1I2 O75469 1/20 0.30
PGR P06401 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
PTGS2 P35354 1/20 0.30
PDE4D Q08499 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
SCHEMBL5436266 0.89 EPHX2 (0.38) MAPTALDH1A1TSHRTP53HIF1A
SCHEMBL5437789 0.87 ALDH1A1 (0.44) MAPTALDH1A1TSHRTP53HIF1A
SCHEMBL5675420 0.87 ALDH1A1 (0.44) MAPTALDH1A1TSHRTP53HIF1A
SCHEMBL5440233 0.87 ALDH1A1 (0.44) MAPTALDH1A1TSHRTP53HIF1A
SCHEMBL5440237 0.87 ALDH1A1 (0.44) MAPTALDH1A1TSHRTP53HIF1A
SCHEMBL5441923 0.87 ALDH1A1 (0.44) MAPTALDH1A1TSHRTP53HIF1A
SCHEMBL5451678 0.83 MAPT (0.41) MAPTALDH1A1TSHRHSD17B10EPHX2
SCHEMBL353661 0.83 TSHR (0.56) MAPTALDH1A1TSHRTP53HIF1A
SCHEMBL355562 0.83 TSHR (0.56) MAPTALDH1A1TSHRTP53HIF1A
SCHEMBL10536751 0.75 TSHR (0.35) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060713-A1 Reactive diluents in coating formulation BP CHEMICALS LIMITED (GB) 2007-03-15 US claimed
EP-1620515-B1 REACTIVE DILUENTS IN COATING FORMULATION UNIV SOUTHERN MISSISSIPPI RES (US) 2006-12-27 EP claimed
JP-2006525402-A 2006-11-09 JP claimed
EP-1620515-A1 REACTIVE DILUENTS IN COATING FORMULATION The University of Southern Mississippi Research Foundation (US) 2006-02-01 EP claimed
WO-2004099329-A1 REACTIVE DILUENTS IN COATING FORMULATION THE UNIVERSITY OF SOUTHERN MISSISSIPPI RESEARCH FOUNDATION (US) 2004-11-18 WO claimed
EP-1620515-B1 REACTIVE DILUENTS IN COATING FORMULATION UNIV SOUTHERN MISSISSIPPI RES (US) 2006-12-27 EP disclosed
EP-1620515-A1 REACTIVE DILUENTS IN COATING FORMULATION The University of Southern Mississippi Research Foundation (US) 2006-02-01 EP disclosed
WO-2004099329-A1 REACTIVE DILUENTS IN COATING FORMULATION THE UNIVERSITY OF SOUTHERN MISSISSIPPI RESEARCH FOUNDATION (US) 2004-11-18 WO disclosed