SCHEMBL10653733

SCHEMBL10653733

CCOC(=O)CCN(CCC(=O)OCC)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
CYP1A2 P05177 1/20 0.44
POLB P06746 2/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TRPA1 O75762 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
KDM5A P29375 2/20 0.38
ALOX5 P09917 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL10654873 0.88 CYP1A2 (0.47) GAAMGAMSIMGAM2KMT2A
SCHEMBL5573011 0.84 CYP1A2 (0.46) GAAMGAMSIMGAM2KMT2A
SCHEMBL18095949 0.80 CYP1A2 (0.46) GAAMGAMSIMGAM2KMT2A
SCHEMBL3496977 0.79 GAA (0.52) GAAMGAMSIMGAM2KMT2A
SCHEMBL9685398 0.78 GAA (0.52) GAAMGAMSIMGAM2KMT2A
SCHEMBL1935858 0.78 CA12 (0.43) GAAMGAMSIMGAM2KMT2A
SCHEMBL13422016 0.78 KMT2A (0.57) GAAMGAMSIMGAM2KMT2A
SCHEMBL10296020 0.78 KMT2A (0.52) GAAMGAMSIMGAM2KMT2A
SCHEMBL22206980 0.77 GAA (0.45) GAAMGAMSIMGAM2KMT2A
SCHEMBL66021 0.76 ALDH1A1 (0.54) GAAMGAMSIMGAM2KMT2A

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-0126654-B1 TETRAHYDROISOXAZOLO(4,5-C)PYRIDINE DERIVATIVES AND PREPARATION THEREOF H. LUNDBECK A/S (DK) 1988-05-04 EP disclosed
EP-0126654-A1 Tetrahydroisoxazolo(4,5-c)pyridine derivatives and preparation thereof H. LUNDBECK A/S (DK) 1984-11-28 EP disclosed
US-3989707-A NEUROLEPTIC AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1976-11-02 US disclosed