SCHEMBL11047499

SCHEMBL11047499

c1ccc2c(c1)ccc1cccc(OP(Oc3cccc4ccc5ccccc5c34)Oc3cccc4ccc5ccccc5c34)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
HSD17B10 Q99714 6/20 0.46
HPGD P15428 4/20 0.46
CYP1A2 P05177 4/20 0.46
THRB P10828 1/20 0.46
TSHR P16473 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP2A6 P11509 1/20 0.42
HPRT1 P00492 1/20 0.39
HTR1B P28222 4/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1B1 Q16678 2/20 0.39
CYP1A1 P04798 1/20 0.39
HIF1A Q16665 2/20 0.38
MAPK1 P28482 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
ERBB2 P04626 1/20 0.38
FYN P06241 1/20 0.38
MAOA P21397 1/20 0.38

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
SCHEMBL31556331 0.83 HTR1B (0.48) ALDH1A1HSD17B10HPGDCYP1A2TSHR
SCHEMBL1449787 0.83 HTR1B (0.48) ALDH1A1HSD17B10HPGDCYP1A2TSHR
SCHEMBL3747912 0.81 ALDH1A1 (0.52) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL20435263 0.78 MAPT (0.59) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL2783372 0.78 HSD17B10 (0.48) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL6865702 0.76 HTR1B (0.43) ALDH1A1HSD17B10HPGDCYP1A2TDP1
SCHEMBL6851541 0.76 ALDH1A1 (0.46) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL10929913 0.74 KCNA3 (0.51) ALDH1A1HSD17B10HPGDCYP1A2TDP1
SCHEMBL21381123 0.73 KCNA3 (0.46) ALDH1A1HSD17B10HPGDCYP1A2TDP1
SCHEMBL26445243 0.73 ALDH1A1 (0.43) ALDH1A1HSD17B10HPGDCYP1A2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0043185-B1 METHOD FOR PRODUCTION OF TITANIUM HALIDE CATALYST COMPONENT, CATALYST SYSTEM INCLUDING SUCH COMPONENT, AND POLYMERIZATION OF ALPHA-OLEFINS USING SUCH SYSTEM STAUFFER CHEMICAL COMPANY (US) 1984-10-10 EP disclosed
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
US-4347160-A Titanium halide catalyst system STAUFFER CHEMICAL COMPANY (US) 1982-08-31 US disclosed
US-4325836-A Novel titanium halide containing catalyst STAUFFER CHEMICAL COMPANY (US) 1982-04-20 US disclosed
EP-0044445-A2 Titanium halide containing catalyst STAUFFER CHEMICAL COMPANY (US) 1982-01-27 EP disclosed
EP-0043185-A1 Method for production of titanium halide catalyst component, catalyst system including such component, and polymerization of alpha-olefins using such system STAUFFER CHEMICAL COMPANY (US) 1982-01-06 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
US-4130503-A MAGNESIUM CHLORIDE, TITANIUM CHLORIDE, ALUMINUM CHLORIDE PHILLIPS PETROLEUM COMPANY (US) 1978-12-19 US disclosed