SCHEMBL7745307

SCHEMBL7745307

CC(O)CNC(=O)CCCCC(N)=O.NC(=O)CCCCC(N)=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
ASAH1 Q13510 1/20 0.41
HPGD P15428 2/20 0.40
FAAH O00519 4/20 0.39
RECQL P46063 1/20 0.39
EPHX2 P34913 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
PSMB5 P28074 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
THRB P10828 1/20 0.36
MMP2 P08253 1/20 0.36

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
SCHEMBL1897281 1.00 ALDH1A1 (0.48) ALDH1A1ASAH1HPGDFAAHRECQL
SCHEMBL6470541 1.00 ALDH1A1 (0.48) ALDH1A1ASAH1HPGDFAAHRECQL
SCHEMBL6369086 0.98 ALDH1A1 (0.47) ALDH1A1ASAH1HPGDFAAHRECQL
SCHEMBL8187456 0.98 ALDH1A1 (0.47) ALDH1A1ASAH1HPGDFAAHRECQL
SCHEMBL6369101 0.96 ALDH1A1 (0.48) ALDH1A1ASAH1HPGDFAAHRECQL
SCHEMBL6940505 0.92 ALDH1A1 (0.50) ALDH1A1ASAH1HPGDFAAHRECQL
SCHEMBL28893915 0.90 ALDH1A1 (0.50) ALDH1A1ASAH1HPGDEPHX2MMP2
SCHEMBL14984044 0.90 FAAH (0.48) ALDH1A1ASAH1HPGDFAAHRECQL
SCHEMBL16669295 0.84 FAAH (0.59) ASAH1FAAHMEN1MAPK1KMT2A
SCHEMBL8370000 0.83 ASAH1 (0.39) ALDH1A1ASAH1HPGDFAAHRECQL

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-0918810-A4 LOW TEMPERATURE CURE CARBOXYL TERMINATED POLYESTERS MCWHORTER TECHNOLOGIES INC (US) 2001-05-16 EP disclosed
EP-0918810-A1 LOW TEMPERATURE CURE CARBOXYL TERMINATED POLYESTERS McWHORTER TECHNOLOGIES, Inc. (US) 1999-06-02 EP disclosed
WO-1998006772-A1 LOW TEMPERATURE CURE CARBOXYL TERMINATED POLYESTERS MCWHORTER TECHNOLOGIES, INC. (US) 1998-02-19 WO disclosed