SCHEMBL2369723

SCHEMBL2369723

CCOc1ccc(Cc2c(O)cccc2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 1/20 0.51
SLC5A2 P31639 5/20 0.50
SLC5A1 P13866 2/20 0.50
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.43
RECQL P46063 1/20 0.43
NQO1 P15559 1/20 0.42
HTT P42858 1/20 0.42
LTA4H P09960 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL4289115 0.84 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1MEN1KMT2ALTA4H
SCHEMBL560292 0.77 ALDH1A1 (0.48) HPGDALDH1A1MEN1KMT2AHTT
SCHEMBL30064859 0.77 ALDH1A1 (0.48) HPGDALDH1A1MEN1KMT2AHTT
SCHEMBL2580611 0.74 KEAP1 (0.59) SMN1; SMN2KDM4ESLC5A2SLC5A1MAPT
SCHEMBL3622807 0.74 MEN1 (0.66) SMN1; SMN2KDM4EHPGDSLC5A2SLC5A1
SCHEMBL4293026 0.72 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EHPGDSLC5A2SLC5A1
SCHEMBL2488793 0.72 NQO1 (0.74) SMN1; SMN2KDM4EHPGDMAPTALDH1A1
SCHEMBL3329675 0.71 L3MBTL1 (0.49) SMN1; SMN2KDM4EHPGDMAPTALDH1A1
SCHEMBL12135093 0.71 LTA4H (0.70) SMN1; SMN2MAPTALDH1A1NQO1LTA4H
SCHEMBL2136831 0.70 TSHR (0.50) SMN1; SMN2KDM4EHPGDMAPTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2542236-A1 6 -BENZYLPHENYL- 2 - SULFURTERAHYDROPYRAN-3, 4, 5 -TRIOL DERIVATIVES AS INHIBITORS OF SODIUM -GLUCOSE COTRANS PORTERS 1 AND 2 FOR USE IN DIABETIC PATIENTS Lexicon Pharmaceuticals, Inc. (US) 2013-01-09 EP disclosed
WO-2011109333-A1 6 -BENZYLPHENYL- 2 - SULFURTERAHYDROPYRAN-3, 4, 5 -TRIOL DERIVATIVES AS INHIBITORS OF SODIUM -GLUCOSE COTRANS PORTERS 1 AND 2 FOR USE IN DIABETIC PATIENTS LEXICON PHARMACEUTICALS, INC. (US) 2011-09-09 WO disclosed