SCHEMBL9015873

SCHEMBL9015873

O=C1C2=CC(CCC2)C(=O)N1c1cc(OC2CC2)c(Cl)cc1Cl.O=C1C2=CC(CCC2)C(=O)N1c1cc(OC2CCCC2)c(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPOX P50336 7/20 0.41
CSNK2A1 P68400 2/20 0.34
HPGD P15428 1/20 0.32
SCN9A Q15858 1/20 0.32
KMO O15229 3/20 0.31
GRM2 Q14416 1/20 0.30
RORC P51449 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
SCHEMBL8761765 0.99 PPOX (0.42) PPOXCSNK2A1HPGDSCN9AKMO
SCHEMBL8761763 0.99 PPOX (0.42) PPOXCSNK2A1HPGDSCN9AKMO
SCHEMBL8760528 0.98 PPOX (0.41) PPOXCSNK2A1HPGDSCN9AKMO
SCHEMBL8761210 0.98 PPOX (0.41) PPOXCSNK2A1HPGDSCN9AKMO
SCHEMBL8761206 0.98 PPOX (0.41) PPOXCSNK2A1HPGDSCN9AKMO
SCHEMBL8760535 0.98 PPOX (0.41) PPOXCSNK2A1HPGDSCN9AKMO
SCHEMBL8763551 0.98 PPOX (0.38) PPOXCSNK2A1KMORORC
SCHEMBL8763556 0.98 PPOX (0.38) PPOXCSNK2A1KMORORC
SCHEMBL8760695 0.89 PPOX (0.52) PPOXSCN9A
SCHEMBL8761614 0.89 PPOX (0.52) PPOXSCN9A

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
US-5554581-A Tetrahydrophthalamide derivative, intermediate for producing the same, production of both, and herbicide containing the same as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 1996-09-10 US disclosed