SCHEMBL5440237

SCHEMBL5440237

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
TSHR P16473 5/20 0.44
TP53 P04637 2/20 0.44
HIF1A Q16665 2/20 0.44
HSD17B10 Q99714 1/20 0.44
ATM Q13315 1/20 0.39
MAPT P10636 3/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
CYP3A4 P08684 2/20 0.36
HCAR2 Q8TDS4 5/20 0.35
THRB P10828 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.33

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
SCHEMBL5675420 1.00 ALDH1A1 (0.44) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL5441923 1.00 ALDH1A1 (0.44) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL5440233 1.00 ALDH1A1 (0.44) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL353661 0.92 TSHR (0.56) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL355562 0.92 TSHR (0.56) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL5443446 0.87 MAPT (0.37) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL5436266 0.85 EPHX2 (0.38) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL4653141 0.84 MAPT (0.46) ALDH1A1TSHRATMMAPTCACNA1B
SCHEMBL4651813 0.84 MAPT (0.46) ALDH1A1TSHRATMMAPTCACNA1B
SCHEMBL4653142 0.84 MAPT (0.46) ALDH1A1TSHRATMMAPTCACNA1B

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-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