SCHEMBL11040449

SCHEMBL11040449

c1ccc2cc(-c3ccc(OP(Oc4ccc(-c5ccc6ccccc6c5)cc4)Oc4ccc(-c5ccc6ccccc6c5)cc4)cc3)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.55
ESR2 Q92731 3/20 0.55
ALOX5 P09917 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
GSTP1 P09211 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL11335924 0.84 ESR1 (0.57) ESR1ESR2ALOX5CA1CA2
SCHEMBL11119072 0.82 CYP11B2 (0.49) ESR1ESR2ALOX5CA2HSD17B1
SCHEMBL3960261 0.82 CYP2A6 (0.56) ALOX5CA1CA2CA9SMN1; SMN2
SCHEMBL18260181 0.82 ESR1 (0.76) ESR1ESR2ALOX5CA1CA2
SCHEMBL31039575 0.82 ESR1 (0.76) ESR1ESR2ALOX5CA1CA2
SCHEMBL19159537 0.80 LTA4H (0.41) CA1CA2CA9GSTP1ALDH1A1
SCHEMBL3124024 0.80 ALDH1A1 (0.47) ESR1ESR2CA1CA2CA9
SCHEMBL9172219 0.79 GPR84 (0.42) ESR1ESR2ALOX5CA1CA2
SCHEMBL15902840 0.79 ESR1 (0.71) ESR1ESR2ALOX5CA1CA2
SCHEMBL5013872 0.79 ESR1 (0.71) ESR1ESR2ALOX5CA1CA2

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 8 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-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