SCHEMBL10839834

SCHEMBL10839834

O=C(NCCO)OCCCl

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.51
CHRNB4 P30926 2/20 0.51
CHRNA3 P32297 2/20 0.51
CHRNA4 P43681 2/20 0.51
ACHE P22303 14/20 0.50
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL11741059 0.89 ACHE (0.50) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL5747611 0.86 ACHE (0.48) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL11735248 0.84 ACHE (0.57) ACHEALDH1A1
SCHEMBL6832195 0.84 ACHE (0.67) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL11736597 0.83 ACHE (0.57) ACHEALDH1A1
SCHEMBL763817 0.82 ACHE (0.59) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL16447335 0.81 ACHE (0.44) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL10062061 0.80 ACHE (0.67) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL10062060 0.80 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL11848496 0.80 ACHE (0.61) CHRNB2CHRNB4CHRNA3CHRNA4ACHE

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-4582526-A Carbamic acid ester herbicides HOFFMANN-LA ROCHE INC. (US) 1986-04-15 US disclosed