SCHEMBL4850468

SCHEMBL4850468

C=CC(=O)OCCCCOCC(O)CBr

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.56
ALDH1A1 P00352 4/20 0.56
CYP3A4 P08684 3/20 0.56
HPGD P15428 1/20 0.47
TP53 P04637 3/20 0.47
HIF1A Q16665 3/20 0.47
HSD17B10 Q99714 1/20 0.47
THRB P10828 2/20 0.37
USP2 O75604 1/20 0.34
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
LPAR5 Q9H1C0 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATM Q13315 1/20 0.31
PLA2G2C Q5R387 1/20 0.31
HCAR2 Q8TDS4 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
SCHEMBL4846466 0.97 TSHR (0.52) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL4843885 0.90 TSHR (0.60) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL29161386 0.85 TSHR (0.58) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL6752095 0.85 TSHR (0.41) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL15304938 0.84 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL4849459 0.84 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL2113973 0.83 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25516626 0.83 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL3889114 0.82 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL19698627 0.82 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459185-B2 Treatment of natural polymer based materials and the products based thereon COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 2008-12-02 US disclosed
US-20050048207-A1 Treatment of natural polymer based materials and the products based thereon COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2005-03-03 US disclosed
US-6800331-B2 REACTING THE FUNCTIONALIZED SURFACE WITH A COMPOUND CONTAININGAT LEAST FOUR AMINE GROUPS AND A CROSSLINKING AGENT REACTIVE WITH THE POLYAMINE; TO PROVIDE A CROSSLINKED NETWORK GRAFTED TO THE SUBSTRATE SURFACE. COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2004-10-05 US disclosed
US-20040115354-A1 Apparatus for surface engineering COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2004-06-17 US disclosed
US-20030194504-A1 Preparation of functional polymeric surface COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2003-10-16 US disclosed