SCHEMBL3626145

SCHEMBL3626145

CCSC(SCC)C(=O)N(C)c1ccc(C2=NOC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1Cl

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
KLRK1 P26718 1/20 0.30
MICA Q29983 1/20 0.30
RAET1L Q5VY80 1/20 0.30

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
SCHEMBL3627033 0.93 KLRK1 (0.31) PDE3BPDE3AKLRK1MICARAET1L
SCHEMBL3629505 0.91 CA1 (0.30)
SCHEMBL3627454 0.90
SCHEMBL3627778 0.89 KLRK1 (0.32) HDAC4KLRK1MICARAET1L
SCHEMBL3628687 0.87
SCHEMBL3625660 0.85 KLRK1 (0.30) KLRK1MICARAET1L
SCHEMBL3628683 0.82 HDAC4 (0.31) HDAC4
SCHEMBL3621522 0.82 PTGS1 (0.31) PDE3BPDE3A
SCHEMBL979648 0.81 TRPV1 (0.35)
SCHEMBL3627795 0.80

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
EP-2199287-A1 SUBSTITUTED ISOXAZOLINE COMPOUND AND PEST CONTROL AGENT Nissan Chemical Industries, Ltd. (JP) 2010-06-23 EP disclosed