SCHEMBL9713602

SCHEMBL9713602

Fc1cc(F)cc(Oc2ccc(OCCBr)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 10/20 0.42
FFAR4 Q5NUL3 2/20 0.39
PLA2G2A P14555 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGS2 P35354 1/20 0.36
VEGFA P15692 2/20 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
SCHEMBL9723110 0.91 LTA4H (0.42) LTA4HFFAR4PLA2G2A
SCHEMBL3054211 0.84 SOD1 (0.40) NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL9713406 0.81 ALDH1A1 (0.48) LTA4HFFAR4PLA2G2ASMN1; SMN2
SCHEMBL118043 0.80 CYP1A2 (0.50) LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL10715281 0.79 VEGFA (0.46) LTA4HFFAR4NPC1MAPTRAB9A
Bromide SCHEMBL28690086 0.78 CYP1A2 (0.48) LTA4HNPC1RAB9ASMN1; SMN2
Alcohol SCHEMBL10452214 0.77 NR1I2 (0.49) LTA4HFFAR4SMN1; SMN2
SCHEMBL9713863 0.77 FFAR4 (0.38) LTA4HFFAR4PLA2G2AVEGFA
SCHEMBL29001366 0.77 LTA4H (0.59) LTA4HMAPT
SCHEMBL8140756 0.77 NPC1 (0.47) LTA4HPLA2G2ANPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0246713-B1 INTERMEDIATES FOR THE PRODUCTION OF NITROGEN-CONTAINING SUBSTITUTED HETEROCYCLIC COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-03-04 EP disclosed
US-4970222-A INSECTICIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-11-13 US disclosed
US-4879292-A Certain-phenoxy-phenoxy-alkylene-oxy-pyrimidines or symmetrical triazines, thio-analogues thereof, having insecticidal activity SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-11-07 US disclosed
EP-0128648-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-08-17 EP disclosed
US-4751225-A Certain 2-pyridyloxy-lower alkylene-oxy-phenoxy compounds, thio-and methylene analogues having insecticidal properties SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-06-14 US disclosed
EP-0246713-A2 Intermediates for the production of nitrogen-containing substituted heterocyclic compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-11-25 EP disclosed
EP-0128648-A1 Nitrogen-containing heterocyclic compounds, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-12-19 EP disclosed