SCHEMBL9558447

SCHEMBL9558447

CCOc1ccc(C(C)(CC)CCCc2ccc(F)c(Oc3ccccc3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
PPARG P37231 1/20 0.36
LPAR1 Q92633 6/20 0.36
LPAR5 Q9H1C0 6/20 0.36
KIF11 P52732 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CACNA1C Q13936 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35

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
SCHEMBL10543496 0.92 LTA4H (0.40) LTA4HPPARGLPAR1LPAR5S1PR1
SCHEMBL393264 0.89 LTA4H (0.43) LTA4HL3MBTL1LMNAMAPTATM
SCHEMBL10545463 0.89 TTR (0.36) L3MBTL1LMNAMAPTATMLPAR1
SCHEMBL10549741 0.88 LPAR1 (0.34) LPAR1LPAR5S1PR1S1PR3
SCHEMBL10546512 0.88 LTA4H (0.39) LTA4HL3MBTL1LMNAMAPTATM
SCHEMBL10548008 0.88 LPAR1 (0.35) LPAR1LPAR5S1PR1S1PR3
SCHEMBL10546549 0.88 LPAR1 (0.35) LPAR1LPAR5SIGMAR1S1PR1S1PR3
SCHEMBL10624154 0.86 LTA4H (0.39) LTA4HL3MBTL1LMNAMAPTATM
SCHEMBL9031232 0.85 LTA4H (0.41) LTA4HL3MBTL1LMNAMAPTATM
SCHEMBL10649351 0.85 LTA4H (0.39) LTA4HL3MBTL1LMNAMAPTATM

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 6 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
EP-0257415-A1 Insecticidal resin coating film MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-03-02 EP 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