SCHEMBL11146652

SCHEMBL11146652

CC=CCNC(=O)OCCOCCCC

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 13/20 0.50
▸ EPHX2 P34913 3/20 0.41
▸ HRH4 Q9H3N8 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL18902746 0.80 ACHE (0.60) ACHE
SCHEMBL22598294 0.78 EPHX2 (0.41) EPHX2
SCHEMBL1837517 0.77 ACHE (0.72) ACHEEPHX2
SCHEMBL4921718 0.77 ACHE (0.53) ACHEEPHX2
SCHEMBL10791633 0.77 ACHE (0.72) ACHEEPHX2
SCHEMBL2818167 0.76 ACHE (0.53) ACHE
SCHEMBL22121364 0.74 ACHE (0.50) ACHEHRH4HRH3
SCHEMBL22121365 0.74 ACHE (0.50) ACHEHRH4HRH3
SCHEMBL31113456 0.74 ACHE (0.50) ACHEEPHX2HRH4HRH3
SCHEMBL30010462 0.74 ACHE (0.50) ACHEEPHX2HRH4HRH3

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-4386033-A BOILING, CONDENSATION OF VAPORS, CIRCULATION; SEPARATION BAYER AKTIENGESELLSCHAFT (DE) 1983-05-31 — — US disclosed
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