SCHEMBL11045320

SCHEMBL11045320

c1cc(OP(Oc2cccc(C3CCC3)c2)Oc2cccc(C3CCC3)c2)cc(C2CCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.47
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
DRD2 P14416 6/20 0.41
KMO O15229 1/20 0.41
DRD3 P35462 4/20 0.37
SPHK1 Q9NYA1 1/20 0.37
DRD1 P21728 2/20 0.36
DRD4 P21917 2/20 0.36
DRD5 P21918 2/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36

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
SCHEMBL11122320 0.96 HTR2C (0.47) HTR2CHDAC4HDAC2HDAC8DRD2
SCHEMBL31012118 0.95 KMO (0.47) HTR2CHDAC4HDAC2HDAC8DRD2
SCHEMBL23673286 0.95 KMO (0.47) HTR2CHDAC4HDAC2HDAC8DRD2
SCHEMBL28313902 0.81 KMO (0.49) HTR2CHDAC4HDAC2HDAC8DRD2
SCHEMBL1515075 0.79 HTR2C (0.72) HTR2CDRD2
SCHEMBL9390227 0.78 KCNH2 (0.48) HTR2CHDAC4HDAC2HDAC8KMO
SCHEMBL7844832 0.76 HTR2C (0.72) HTR2CHDAC4HDAC2HDAC8DRD2
SCHEMBL11042331 0.75 BACE1 (0.47) DRD2KMO
SCHEMBL16180721 0.75 HTR2C (0.45) HTR2CHDAC4HDAC2HDAC8DRD2
SCHEMBL25046792 0.75 HTR2C (0.45) HTR2CHDAC4HDAC2HDAC8DRD2

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-0012397-B1 POLYMERIZATION CATALYST AND PROCESS FOR POLYMERIZING ALPHA-OLEFINS PHILLIPS PETROLEUM COMPANY (US) 1984-02-15 EP disclosed
US-4379898-A MAGNESIUM METAL, ORGANIC HALIDE, TITANIUM TETRAHALIDE, TRIARYL PHOSPHITE AND ALUMINUM HALIDE PHILLIPS PETROLEUM COMPANY (US) 1983-04-12 US disclosed
EP-0070039-A2 Polymerization catalyst and process for polymerizing alpha-olefins PHILLIPS PETROLEUM COMPANY (US) 1983-01-19 EP disclosed
US-4287091-A PREPARED BY MILLING MAGNESIUM, AN ORGANIC HALIDE, AND TITANIUM TETRAHALIDE PHILLIPS PETROLEUM CO. (US) 1981-09-01 US disclosed
US-4276192-A Polymerization catalysts PHILLIPS PETROLEUM COMPANY (US) 1981-06-30 US disclosed
US-4260708-A REPLACING A PORTION OF TRIALKYLALUMINUM ACTIVATOR WITH DIALKYLALUMINUM DIALKYLPHOSPHATE PHILLIPS PETROLEUM COMPANY (US) 1981-04-07 US disclosed
US-4243552-A MAGNESIUM CHLORIDE OR MANGANESE CHLORIDE AND ADJUVANT PHILLIPS PETROLEUM COMPANY (US) 1981-01-06 US disclosed
US-4237029-A HEAT TREATMENT AFTER MILLING; FOR POLYMERIZATION OF PROPYLENE PHILLIPS PETROLEUM COMPANY (US) 1980-12-02 US disclosed
EP-0012397-A1 Polymerization catalyst and process for polymerizing alpha-olefins PHILLIPS PETROLEUM COMPANY (US) 1980-06-25 EP disclosed
US-4130503-A MAGNESIUM CHLORIDE, TITANIUM CHLORIDE, ALUMINUM CHLORIDE PHILLIPS PETROLEUM COMPANY (US) 1978-12-19 US disclosed