SCHEMBL4332044

SCHEMBL4332044

CCOc1ccc(C(COCC(c2ccc(OCC)cc2)C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.50
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LTA4H P09960 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
ACACB O00763 3/20 0.38
CNR2 P34972 1/20 0.37
PARP10 Q53GL7 1/20 0.37
RELA Q04206 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
PRSS1 P07477 1/20 0.37

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
SCHEMBL4332048 1.00 NQO1 (0.50) NQO1TSHRTDP1LTA4HMEN1
SCHEMBL10555386 0.82 NQO1 (0.50) NQO1TSHRTDP1LTA4HMEN1
SCHEMBL9561666 0.82 NQO1 (0.50) NQO1TSHRTDP1LTA4HMEN1
SCHEMBL7922514 0.82 NQO1 (0.50) NQO1TSHRTDP1LTA4HMEN1
SCHEMBL9560409 0.82 NQO1 (0.50) NQO1TSHRTDP1LTA4HMEN1
SCHEMBL9560441 0.82 NQO1 (0.36) NQO1TSHRTDP1LTA4HMEN1
SCHEMBL9804428 0.78 NQO1 (0.45) NQO1TSHRTDP1LTA4HMEN1
SCHEMBL9560815 0.78 MRGPRX4 (0.41) LTA4HMEN1KMT2AL3MBTL1LMNA
SCHEMBL9561406 0.77 FFAR1 (0.51) LTA4HACACBCNR2RELASMN1; SMN2
SCHEMBL409247 0.77 FFAR1 (0.51) LTA4HACACBCNR2RELASMN1; SMN2

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-2048953-B1 INSECTICIDAL COMPOSITION MCLAUGHLIN GORMLEY KING CO (US) 2020-11-18 EP disclosed
US-20090324509-A1 INSECTICIDAL COMPOSITION LIVIE BIOPESTICIDES LIMITED (GB) 2009-12-31 US disclosed
US-20090263511-A1 INSECTICIDAL COMPOSITION LIVIE BIOPESTICIDES LIMITED (GB) 2009-10-22 US disclosed
US-5506269-A Parasiticide employing pyrethroid type compounds MITSUI TOATSU CHEMICALS, INC. (JP) 1996-04-09 US disclosed
EP-0665011-A1 Parasiticide against endoparasites comprising a pyrethroid type compound MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-08-02 EP disclosed