SCHEMBL20089835

SCHEMBL20089835

O=C1CCCN1CCOCC(O)COCCOCOCCOCC(O)COCCN1CCCC1=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
PIK3CD O00329 1/20 0.39
TSHR P16473 2/20 0.38
PER2 O15055 2/20 0.37
RCE1 Q9Y256 1/20 0.36
PKM P14618 1/20 0.36
ADRA1B P35368 2/20 0.35
GAA P10253 1/20 0.35
CYP2C19 P33261 1/20 0.35
CRY2 Q49AN0 1/20 0.34

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
SCHEMBL19762326 0.92 POLB (0.38) POLBKMT2AMEN1PIK3CDTSHR
SCHEMBL21727226 0.88 PIK3CD (0.42) POLBKMT2AMEN1PIK3CDTSHR
SCHEMBL28666358 0.87 POLB (0.41) POLBKMT2AMEN1PIK3CDTSHR
SCHEMBL22000766 0.85 POLB (0.38) POLBKMT2AMEN1PIK3CDTSHR
SCHEMBL22000371 0.83 KMT2A (0.40) POLBKMT2AMEN1PIK3CDTSHR
SCHEMBL19514128 0.81 KMT2A (0.50) POLBKMT2AMEN1PIK3CDTSHR
SCHEMBL7937319 0.79 KMT2A (0.51) POLBKMT2AMEN1PIK3CDTSHR
SCHEMBL12056407 0.78 PIK3CD (0.56) POLBKMT2AMEN1PIK3CDTSHR
SCHEMBL20687601 0.77 KMT2A (0.48) POLBKMT2AMEN1PIK3CDTSHR
SCHEMBL2490366 0.76 POLB (0.45) POLBKMT2AMEN1PIK3CDTSHR

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-20180112100-A1 COATING COMPOSITIONS CONTAINING LACTAM-FUNCTIONALIZED POLYMER HERCULES LLC (US) 2018-04-26 US disclosed