SCHEMBL7121857

SCHEMBL7121857

C=C(CCC)C(=O)NOCC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.38
ALDH1A1 P00352 2/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
HDAC3 O15379 4/20 0.34
HDAC1 Q13547 4/20 0.34
HDAC2 Q92769 4/20 0.34
HDAC8 Q9BY41 4/20 0.34
HDAC6 Q9UBN7 1/20 0.34
FFAR3 O14843 3/20 0.33
TSHR P16473 1/20 0.32
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL28305056 0.84 ALOX15 (0.32) ALDH1A1ALOX15MGAMGAASI
SCHEMBL1761092 0.83 ALOX15 (0.31) ALDH1A1ALOX15MGAMGAASI
SCHEMBL28003106 0.78 GAA (0.41) CTSDALDH1A1FFAR3TSHRALOX15
SCHEMBL28487941 0.77 HDAC3 (0.32) CTSDHDAC3HDAC1HDAC2HDAC8
SCHEMBL2209427 0.77
Hydrochloric Acid SCHEMBL28862020 0.76 CTSD (0.50) CTSDALDH1A1CES2CES1HDAC3
SCHEMBL28660794 0.75 HDAC3 (0.33) CTSDALDH1A1HDAC3HDAC1HDAC2
SCHEMBL28196189 0.75 TDP1 (0.43) CTSDALDH1A1TSHR
SCHEMBL8089105 0.75
SCHEMBL841871 0.75

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-20030220459-A1 Heat-sensitive water soluble copolymers based on(poly)ethoxylated(meth) acrylate, method for making same and use for preparing adhesive films and binders for textiles webs ATOFINA (FR) 2003-11-27 US disclosed