SCHEMBL1682170

SCHEMBL1682170

CO[C@H]1O[C@H](C(O)C(=O)c2ccccc2)[C@@H](F)[C@@](O)(C(=O)c2ccccc2)[C@]1(O)C(=O)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33
CES2 O00748 1/20 0.31
LMNA P02545 1/20 0.31
CES1 P23141 1/20 0.31
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL5808045 0.88 HIF1A (0.34) HIF1AEPAS1CES2LMNACES1
SCHEMBL7638594 0.83 HIF1A (0.37) HIF1AEPAS1CES2LMNACES1
SCHEMBL8583697 0.76 HIF1A (0.32) HIF1AEPAS1CES2LMNACES1
SCHEMBL9094342 0.74 MDM2 (0.35) LMNAMEN1KMT2A
SCHEMBL8818025 0.74 TSHR (0.37) HIF1AEPAS1CES2LMNACES1
SCHEMBL9751520 0.73 POLB (0.30) POLBMAPTMEN1NPC1RAB9A
SCHEMBL1740885 0.72 LMNA (0.30) LMNA
SCHEMBL3984769 0.71 ALDH1A1 (0.36) HIF1AEPAS1CES2LMNACES1
SCHEMBL8982590 0.71 ALDH1A1 (0.36) HIF1AEPAS1CES2LMNACES1
SCHEMBL27513098 0.71 ALDH1A1 (0.36) HIF1AEPAS1CES2LMNACES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2482823-A2 USE OF COMPOUNDS WITH SGLT-1/SGLT-2 INHIBITOR ACTIVITY FOR PRODUCING MEDICAMENTS FOR TREATMENT OF BONE DISEASES SANOFI (FR) 2012-08-08 EP disclosed
WO-2011039338-A2 USE OF COMPOUNDS WITH SGLT-1/SGLT-2 INHIBITOR ACTIVITY FOR PRODUCING MEDICAMENTS FOR TREATMENT OF BONE DISEASES SANOFI-AVENTIS (FR) 2011-04-07 WO disclosed
EP-1758914-A1 NOVEL FLUOROGLYCOSIDE DERIVATIVES OF PYRAZOLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, AND THE USE THEREOF Sanofi-Aventis Deutschland GmbH (DE) 2007-03-07 EP disclosed
WO-2005121161-A1 NOVEL FLUOROGLYCOSIDE DERIVATIVES OF PYRAZOLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, AND THE USE THEREOF SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-12-22 WO disclosed