SCHEMBL11668705

SCHEMBL11668705

C=CC(=O)OCCC(=O)NC1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.51
HPGD P15428 2/20 0.50
EPHX1 P07099 2/20 0.50
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
NCOR2 Q9Y618 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL2436673 0.83 EPHX1 (0.59) ALDH1A1GAASMN1; SMN2EPHX1MAPT
SCHEMBL21950072 0.79 EPHX2 (0.55) ALDH1A1EPHX1
SCHEMBL10940748 0.78 L3MBTL1 (0.49) ALDH1A1GAAHPGDEPHX1MAPT
SCHEMBL15188943 0.76 TSHR (0.47) ALDH1A1GAASMN1; SMN2HPGDEPHX1
SCHEMBL18884964 0.76 SMN1; SMN2 (0.64) ALDH1A1GAASMN1; SMN2HPGDEPHX1
SCHEMBL28346508 0.76 ALDH1A1 (0.46) ALDH1A1GAASMN1; SMN2HPGDEPHX1
SCHEMBL10587847 0.75 ALDH1A1 (0.83) ALDH1A1SMN1; SMN2HPGDEPHX1MAPT
SCHEMBL1698458 0.75 NPSR1 (0.68) ALDH1A1SMN1; SMN2HPGDEPHX1MAPT
SCHEMBL19963790 0.75 TSHR (0.54) ALDH1A1GAASMN1; SMN2HPGDHDAC3
SCHEMBL25894273 0.73 NPSR1 (0.56) ALDH1A1GAASMN1; SMN2HPGDEPHX1

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-4003751-A CARBAMOYLOXYALKYL ACRYLATES UNION CARBIDE CORPORATION (US) 1977-01-18 US disclosed