SCHEMBL12972503

SCHEMBL12972503

CCCNC(=O)OCCCOCC(=O)NCC

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.51
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL25143831 0.83 ACHE (0.70) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL16306480 0.78 CES2 (0.57) ACHEMEN1MAPTKMT2A
SCHEMBL26227327 0.77 MCL1 (0.45) ACHEMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL10817081 0.77 ACHE (0.81) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8381680 0.77 ACHE (0.74) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13238330 0.77 ACHE (0.50) ACHE
SCHEMBL7687507 0.76 ACHE (0.78) ACHE
SCHEMBL16301543 0.76 ACHE (0.60) ACHE
SCHEMBL14415956 0.75 FAAH (0.43) ALDH1A1L3MBTL1
SCHEMBL21793130 0.75 CES2 (0.58) ACHE

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-7847034-B2 Adducts and curable compositions using same LOCTITE (R&D) LIMITED (IE) 2010-12-07 US disclosed