SCHEMBL6237588

SCHEMBL6237588

CCCCCCCC1C2C=CC1CC2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.43
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36
CYP1A2 P05177 3/20 0.36
PPARG P37231 1/20 0.36
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
ALOX5 P09917 1/20 0.33
GBA1 P04062 4/20 0.33
SPHK1 Q9NYA1 1/20 0.33
GLB1 P16278 1/20 0.33
GBA2 Q9HCG7 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL6242175 0.98 EPHX1 (0.40) EPHX1ALDH1A1TSHRTHRBCYP1A2
SCHEMBL7543239 0.82 ALDH1A1 (0.41) EPHX1ALDH1A1TSHRTHRBCYP1A2
SCHEMBL6237982 0.79 ALDH1A1 (0.38) EPHX1ALDH1A1TSHRTHRBPPARG
SCHEMBL7535793 0.74 ALDH1A1 (0.35) EPHX1ALDH1A1
SCHEMBL11858409 0.74 TSHR (0.48) EPHX1ALDH1A1TSHRPPARGALOX5
SCHEMBL11735435 0.74 GBA1 (0.39) GBA1SPHK1GLB1GBA2
SCHEMBL1521308 0.73 TSHR (0.42) EPHX1ALDH1A1TSHRTHRBGBA1
SCHEMBL17511994 0.72 ALOX5 (0.39) EPHX1ALDH1A1CYP1A2PPARGALOX5
SCHEMBL18910027 0.71 EPHX1 (0.46) EPHX1ALDH1A1TSHRTHRBCYP1A2
SCHEMBL816628 0.71 CYP1A2 (0.36) ALDH1A1CYP1A2GLB1

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-6936672-B2 Mold addition polymerization of norbornene-type monomers using group 10 metal complexes SUMITOMO BAKELITE CO., LTD. (JP) 2005-08-30 US disclosed
CN-1208360-C In-mold addition polymerization of norbornene-type monomers using group 10 metal complexes SUMITOMO BAKELITE CO (JP) 2005-06-29 CN disclosed
EP-1155057-B1 IN MOLD ADDITION POLYMERIZATION OF NORBORNENE-TYPE MONOMERS USING GROUP 10 METAL COMPLEXES SUMITOMO BAKELITE CO (JP) 2005-06-22 EP disclosed
US-20030120006-A1 In mold addition polymerization of norbornene-type monomers using group 10 metal complexes THE B.F. GOODRICH COMPANY 2003-06-26 US disclosed
US-6350832-B1 CATALYTIC COSSLINKING POLYMER OF POLYCYCLOOLEFIN MONOMER, MOLDING AND SHAPING IN THE PRESENCE OF GROUP 10 TRANSITION METAL AND ANION THE B. F. GOODRICH COMPANY 2002-02-26 US disclosed