SCHEMBL7056142

SCHEMBL7056142

CCC1=Cc2c(cccc2OC)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.40
PTGS2 P35354 1/20 0.38
ACHE P22303 4/20 0.37
BCHE P06276 2/20 0.37
DRD2 P14416 3/20 0.36
DRD3 P35462 3/20 0.36
DRD1 P21728 1/20 0.36
DRD5 P21918 1/20 0.36
DRD4 P21917 2/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35

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
SCHEMBL12634591 0.80 IDO1 (0.33) DRD2DRD3
SCHEMBL7049728 0.78 PTGS2 (0.42) HTR2APTGS2ACHEBCHEDRD2
SCHEMBL5953499 0.77 CYP1A2 (0.30)
SCHEMBL16393791 0.77 GABRA1 (0.39) HTR2ADRD2DRD3DRD4
SCHEMBL5953900 0.75 ADRA2A (0.40)
SCHEMBL7053653 0.72 GABRA1 (0.36) CA1CA2
SCHEMBL1583270 0.71 DPP4 (0.39) DRD2
SCHEMBL7077835 0.70 ACHE (0.38) HTR2AACHEBCHEDRD2DRD3
SCHEMBL6957840 0.69 RXRB (0.41) ACHEBCHECA12CA1CA2
SCHEMBL12668863 0.69 ACHE (0.40) ACHEBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0985674-B1 ORGANIC COMPOUNDS CONTAINING SILICON OR GERMANIUM, TRANSITION METAL COMPLEXES, CATALYST FOR ALPHA-OLEFIN POLYMERIZATION, AND PROCESSES FOR PRODUCING ALPHA-OLEFIN POLYMERS MITSUBISHI CHEM CORP (JP) 2003-04-23 EP disclosed
US-6255515-B1 COORDINATION POLYMERIZATION CATALYSTS MITSUBISHI CHEMICAL CORPORATION (JP) 2001-07-03 US disclosed
EP-0985674-A1 ORGANIC COMPOUNDS CONTAINING SILICON OR GERMANIUM, TRANSITION METAL COMPLEXES, CATALYST FOR $g(a)-OLEFIN POLYMERIZATION, AND PROCESSES FOR PRODUCING $g(a)-OLEFIN POLYMERS MITSUBISHI CHEMICAL CORPORATION (JP) 2000-03-15 EP disclosed