SCHEMBL9558579

SCHEMBL9558579

CCOc1ccc(C2(CCCc3ccc(F)c(Oc4ccccc4)c3)CCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.39
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 4/20 0.35
TACR1 P25103 1/20 0.35
S1PR1 P21453 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
CACNA1C Q13936 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
LPAR1 Q92633 2/20 0.33
LPAR5 Q9H1C0 2/20 0.33

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
SCHEMBL10550785 0.98 LTA4H (0.39) LTA4HSLC6A2SLC6A4SLC6A3TACR1
SCHEMBL10547558 0.97 LTA4H (0.39) LTA4HSLC6A2SLC6A4SLC6A3TACR1
SCHEMBL9558575 0.96 LTA4H (0.41) LTA4HSLC6A2SLC6A4SLC6A3TACR1
SCHEMBL9558726 0.89 LTA4H (0.39) LTA4HSLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL9558615 0.89 CACNA1C (0.40) SLC6A2SLC6A4SLC6A3CACNA1CPTGDR2
SCHEMBL10546672 0.88 S1PR1 (0.38) SLC6A4SLC6A3TACR1S1PR1
SCHEMBL10545443 0.85 S1PR1 (0.39) SLC6A2SLC6A4SLC6A3TACR1S1PR1
SCHEMBL10550476 0.85 S1PR1 (0.41) SLC6A2SLC6A4SLC6A3TACR1S1PR1
SCHEMBL9558169 0.84 LTA4H (0.47) LTA4HSIGMAR1
SCHEMBL9558426 0.84 LTA4H (0.39) LTA4HSLC6A2SLC6A4SLC6A3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0257415-B1 INSECTICIDAL RESIN COATING FILM MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-03-31 EP disclosed
US-4997650-A (Meth)acrylonitrile polymer MITSUI TOATSU CHEMICALS, INC. (JP) 1991-03-05 US disclosed
US-4818525-A LONG-LASTING; ACRYLONITRILE COPOLYMER MITSUI TOATSU CHEMICALS, INC. (JP) 1989-04-04 US disclosed
US-4814340-A 1,4-diaryl alkane derivatives having insecticidal and acaricidal activity MITSUI TOATSU CHEMICALS, INC. (JP) 1989-03-21 US disclosed
US-4661501-A Certain aryl-alkane-2-pyridyloxy-phenyl derivatives having insecticidal and acaricidal activity MITSUI TOATSU CHEMICALS, INC. (JP) 1987-04-28 US disclosed