SCHEMBL6017413

SCHEMBL6017413

CCCCCCCCOc1ccc(-c2nc(-c3ccc(C)cc3)cc(-c3ccc(C)cc3)n2)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.51
NR5A1 Q13285 1/20 0.48
XDH P47989 1/20 0.44
RARB P10826 3/20 0.44
IDH1 O75874 1/20 0.44
ALDH2 P05091 1/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL4413556 0.91 PTPN11 (0.49) PTPN11NR5A1RARBALDH2ALDH1A1
SCHEMBL39014 0.91 PTPN11 (0.49) PTPN11NR5A1RARBALDH2ALDH1A1
SCHEMBL7894761 0.91 PTPN11 (0.49) PTPN11NR5A1RARBALDH2ALDH1A1
SCHEMBL29364333 0.91 PTPN11 (0.49) PTPN11NR5A1RARBALDH2ALDH1A1
SCHEMBL3675957 0.91 PTPN11 (0.49) PTPN11NR5A1RARBALDH2ALDH1A1
SCHEMBL3681413 0.90 PTPN11 (0.47) PTPN11NR5A1RARBALDH2ALDH1A1
SCHEMBL14998002 0.89 PTPN11 (0.47) PTPN11NR5A1RARBALDH2ALDH1A1
SCHEMBL5716522 0.89 PTPN11 (0.54) PTPN11NR5A1RARBIDH1ALDH1A1
SCHEMBL19358328 0.89 PTPN11 (0.56) PTPN11NR5A1RARBGAA
SCHEMBL3688133 0.87 NPC1 (0.47) PTPN11NR5A1ALDH1A1L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727858-A1 COUPLING AGENTS BETWEEN FILLER AND ELASTOMER Ciba Specialty Chemicals Holding Inc. (CH) 2006-12-06 EP disclosed
EP-1680463-A2 STABILIZER COMPOSITIONS FOR HALOGEN CONTAINING POLYMERS Ciba SC Holding AG (CH) 2006-07-19 EP disclosed
EP-1680458-A2 ROMP WITH FLUORINATED GROUPS Ciba SC Holding AG (CH) 2006-07-19 EP disclosed
EP-1664135-A1 STABILIZATION OF METHYLMETHACRYLATE-BUTADIENE-STYRENE GRAFT COPOLYMERS AGAINST THERMAL OXIDATION Ciba SC Holding AG (CH) 2006-06-07 EP disclosed
WO-2005059022-A1 COUPLING AGENTS BETWEEN FILLER AND ELASTOMER CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-06-30 WO disclosed
EP-1539873-A2 STABILLIZATION OF ORGANIC MATERIALS Ciba SC Holding AG (CH) 2005-06-15 EP disclosed
WO-2005049715-A2 STABILIZER COMPOSITIONS FOR HALOGEN CONTAINING POLYMERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-06-02 WO disclosed
WO-2005028402-A2 ROMP WITH FLUORINATED GROUPS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-03-31 WO disclosed
WO-2005023886-A1 STABILIZATION OF METHYLMETHACRYLATE-BUTADIENE-STYRENE GRAFT COPOLYMERS AGAINST THERMAL OXIDATION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-03-17 WO disclosed
WO-2004024810-A2 STABILLIZATION OF ORGANIC MATERIALS CIBA, SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-03-25 WO disclosed