SCHEMBL7869696

SCHEMBL7869696

CCOP(=O)(OCC)SCCN(CC)CC.CCOP(=O)(OCC)SCCN(CC)CC

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL121180 1.00 MEN1 (0.39) MEN1GAACYP2C9CYP2C19KMT2A
SCHEMBL5599016 0.98 MEN1 (0.38) MEN1GAACYP2C9CYP2C19KMT2A
Ethylene SCHEMBL14661144 0.96 MEN1 (0.37) MEN1GAACYP2C9CYP2C19KMT2A
Ethylene SCHEMBL1505696 0.96 MEN1 (0.37) MEN1GAACYP2C9CYP2C19KMT2A
Bromoethane SCHEMBL23111382 0.94 MEN1 (0.36) MEN1GAACYP2C9CYP2C19KMT2A
SCHEMBL8399001 0.94 MEN1 (0.36) MEN1GAACYP2C9CYP2C19KMT2A
Ethylene SCHEMBL18342482 0.94 MEN1 (0.36) MEN1GAACYP2C9CYP2C19KMT2A
Ethylamine SCHEMBL12819063 0.94 MEN1 (0.36) MEN1GAACYP2C9CYP2C19KMT2A
SCHEMBL12494228 0.94 MEN1 (0.36) MEN1GAACYP2C9CYP2C19KMT2A
Cyclohexane SCHEMBL14937783 0.94 MEN1 (0.36) MEN1GAACYP2C9CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564945-B1 A method of controlling harmful insects BAYER AGROCHEM KK (JP) 2001-01-24 EP disclosed
US-6063393-A RODS OR PINS TO BE PRESSED INTO PLANTS NIHON BAYER AGROCHEM K.K. (JP) 2000-05-16 US disclosed
EP-0564945-A1 A method of controlling harmful insects NIHON BAYER AGROCHEM K.K. (JP) 1993-10-13 EP disclosed