SCHEMBL4789211

SCHEMBL4789211

CC1(C)OB(c2cc(Cl)c(Cl)c(Cl)c2)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.42
LIPG Q9Y5X9 13/20 0.42
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
F11 P03951 1/20 0.35
ALDH1A1 P00352 1/20 0.35
P2RX7 Q99572 1/20 0.34
EGFR P00533 1/20 0.34

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
SCHEMBL14956207 0.87 LPL (0.43) LPLLIPGCA1CA2CA9
SCHEMBL2204718 0.85 LPL (0.41) LPLLIPGCA1CA2CA9
SCHEMBL15261973 0.85 LPL (0.41) LPLLIPGCA1CA2CA9
SCHEMBL16655541 0.84 CSF1R (0.37) LPLLIPGCA1CA2CA9
SCHEMBL14956695 0.83 LPL (0.41) LPLLIPGCA1CA2CA9
SCHEMBL528524 0.83 LPL (0.40) LPLLIPGCA1CA2CA9
SCHEMBL2523103 0.83 LPL (0.47) LPLLIPGCA1CA2CA9
SCHEMBL12632055 0.83 LPL (0.40) LPLLIPGCA1CA2CA9
SCHEMBL517499 0.81 LPL (0.52) LPLLIPGCA1CA2CA9
SCHEMBL3239432 0.80 LPL (0.38) LPLLIPGCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008150393-A1 3-CYANO-4-TRIAZOLYL PHENYLISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-12-11 WO disclosed