SCHEMBL11769412

SCHEMBL11769412

C#CCCOP(=O)(OCCCC)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HIF1A Q16665 1/20 0.42
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA4 P22748 4/20 0.40
CA5A P35218 4/20 0.40
CA7 P43166 4/20 0.40
CA9 Q16790 4/20 0.40
CA5B Q9Y2D0 4/20 0.40
CYP3A4 P08684 1/20 0.38

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
SCHEMBL11770317 0.94 MEN1 (0.43) MEN1KMT2AHIF1A
SCHEMBL11774069 0.89 CA2 (0.43) MEN1KMT2ACA12CA1CA2
SCHEMBL777797 0.87 MEN1 (0.56) MEN1KMT2AHIF1ACA12CA1
SCHEMBL11770671 0.85 MEN1 (0.43) MEN1KMT2AHIF1ACA12CA1
SCHEMBL28254358 0.84 MEN1 (0.62) MEN1KMT2AHIF1ACA12CA1
SCHEMBL18334409 0.83 MEN1 (0.51) MEN1KMT2AHIF1ACA12CA1
SCHEMBL11818661 0.83 MEN1 (0.51) MEN1KMT2AHIF1A
SCHEMBL776511 0.82 MEN1 (0.55) MEN1KMT2AHIF1A
SCHEMBL3463643 0.81 MEN1 (0.53) MEN1KMT2AHIF1A
SCHEMBL3463435 0.81 MEN1 (0.53) MEN1KMT2AHIF1A

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-3944666-A Insecticidal compositions and methods of combatting insects using 3-phenoxybenzyl 2,2-dimethyl-3-(2,2-dichlorovinyl)-cyclopropanecarboxylate insecticide with a synergistic compound of mono (alkyl and alkenyl)mono omega-alkynyl arylphosphonates FMC CORPORATION (US) 1976-03-16 US disclosed