SCHEMBL2886933

SCHEMBL2886933

O=C(O)CCCC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
SLC22A6 Q4U2R8 1/20 0.44
VCAM1 P19320 2/20 0.41
LMNA P02545 3/20 0.39
NFKB1 P19838 1/20 0.37
PMP22 Q01453 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
CAMK2A Q9UQM7 1/20 0.34
GABRR3 A8MPY1 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
HDAC3 O15379 1/20 0.33
GABBR2 O75899 1/20 0.33
THRB P10828 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 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
SCHEMBL2991701 0.88 LMNA (0.39) TSHRVCAM1LMNACYP1A2CYP2C9
SCHEMBL6706197 0.83 CYP1A2 (0.42) TSHRVCAM1LMNACYP1A2CYP2C9
SCHEMBL414238 0.77 DGKA (0.50) TSHRSLC22A6LMNAALDH1A1KMT2A
SCHEMBL1507483 0.77 DGKA (0.50) TSHRSLC22A6LMNAALDH1A1KMT2A
SCHEMBL3456634 0.77 DGKA (0.50) TSHRSLC22A6LMNAALDH1A1KMT2A
SCHEMBL16213322 0.76 TSHR (0.52) TSHRSLC22A6VCAM1LMNANFKB1
SCHEMBL2885765 0.75 ALDH1A1 (0.46) TSHRLMNACYP1A2CYP2C9HIF1A
SCHEMBL11233782 0.73 CYP1A2 (0.42) CYP1A2CYP2C9HIF1A
SCHEMBL20512156 0.72 TSHR (0.47) TSHRSLC22A6VCAM1LMNANFKB1
SCHEMBL2597460 0.72 CYP1A2 (0.41) TSHRCYP1A2CYP2C9HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222570-A1 Process for production of chlorinated sucrose based on hydrophobic affinity chromatography PHARMED MEDICARE PVT. LTD. (IN) 2010-09-02 US claimed
EP-1928891-A4 PROCESS FOR PRODUCTION OF CHLORINATED SUCROSE BASED ON HYDROPHOBIC AFFINITY CHROMATOGRAPHY. VB MEDICARE PVT LTD (IN) 2009-06-17 EP claimed
US-20080163867-A1 Molecular Separation Process in Various Steps of Process for Production of Chlorinated Sugars, Their Precursors and Derivatives V.B. MEDICARE PRIVATE LIMITED (IN) 2008-07-10 US claimed
EP-1928891-A2 PROCESS FOR PRODUCTION OF CHLORINATED SUCROSE BASED ON HYDROPHOBIC AFFINITY CHROMATOGRAPHY. Pharmed Medicare Private Limited (IN) 2008-06-11 EP claimed
CN-101166748-A Molecular separation process in various steps of process for production of chlorinated sugars, their precursors and derivatives PHARMED MEDICARE PVT LTD (IN) 2008-04-23 CN claimed
WO-2007052303-A2 PROCESS FOR PRODUCTION OF CHLORINATED SUCROSE BASED ON HYDROPHOBIC AFFINITY CHROMATOGRAPHY. PHARMED MEDICARE PVT. LTD. (IN) 2007-05-10 WO claimed
WO-2006117799-A2 MOLECULAR SEPARATION PROCESS IN VARIOUS STEPS OF PROCESS FOR PRODUCTION OF CHLORINATED SUGARS, THEIR PRECURSORS AND DERIVATIVES PHARMED MEDICARE PRIVATE LIMITED (IN) 2006-11-09 WO claimed