SCHEMBL5276643

SCHEMBL5276643

CC(C)(C)C(=O)OCC1COc2ccc(CCOS(C)(=O)=O)cc2O1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPK1 P28482 1/20 0.37
FFAR1 O14842 7/20 0.37
CA2 P00918 2/20 0.35
MTNR1A P48039 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HTR6 P50406 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
SCHEMBL5212228 1.00 RECQL (0.38) RECQLTSHRSMN1; SMN2L3MBTL1MAPK1
SCHEMBL5212219 1.00 RECQL (0.38) RECQLTSHRSMN1; SMN2L3MBTL1MAPK1
SCHEMBL5212955 0.84 L3MBTL1 (0.40) L3MBTL1MAPK1FFAR1MTNR1AALDH1A1
SCHEMBL5212946 0.84 L3MBTL1 (0.40) L3MBTL1MAPK1FFAR1MTNR1AALDH1A1
SCHEMBL5210668 0.83 CA2 (0.40) FFAR1CA2MTNR1AALDH1A1POLB
SCHEMBL5211766 0.79 HTR6 (0.41) RECQLSMN1; SMN2L3MBTL1FFAR1CA2
SCHEMBL5215763 0.75 LMNA (0.39) RECQLSMN1; SMN2L3MBTL1CA2ALDH1A1
SCHEMBL5746370 0.71 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1POLB
SCHEMBL2798211 0.71 TAAR1 (0.53) SMN1; SMN2L3MBTL1
SCHEMBL6794898 0.69 MTNR1A (0.46) L3MBTL1MAPK1FFAR1MTNR1AALDH1A1

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
EP-1554264-B1 MEDICINAL ARYLETHANOLAMINE COMPOUNDS GLAXO GROUP LTD (GB) 2007-08-08 EP disclosed