SCHEMBL379830

SCHEMBL379830

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

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.32
LMNA P02545 1/20 0.32
CES1 P23141 1/20 0.32
HIF1A Q16665 1/20 0.32
EPAS1 Q99814 1/20 0.32

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
SCHEMBL27844267 1.00 CES2 (0.32) CES2LMNACES1HIF1AEPAS1
SCHEMBL2700179 0.83
SCHEMBL17187720 0.82 CES2 (0.33) CES2LMNACES1HIF1AEPAS1
SCHEMBL7638594 0.80 HIF1A (0.37) CES2LMNACES1HIF1AEPAS1
SCHEMBL14893825 0.80 CES2 (0.31) CES2LMNACES1
SCHEMBL10399320 0.78 CES2 (0.36) CES2LMNACES1HIF1AEPAS1
SCHEMBL10399319 0.78 CES2 (0.36) CES2LMNACES1HIF1AEPAS1
SCHEMBL3984769 0.78 ALDH1A1 (0.36) CES2LMNACES1HIF1AEPAS1
SCHEMBL27513097 0.78 ALDH1A1 (0.36) CES2LMNACES1HIF1AEPAS1
SCHEMBL8982590 0.78 ALDH1A1 (0.36) CES2LMNACES1HIF1AEPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598171-A2 DRUG-LIGAND CONJUGATES, SYNTHESIS THEREOF, AND INTERMEDIATES THERETO Smartcells, Inc. (US) 2013-06-05 EP disclosed
EP-2598170-A2 DRUG-LIGAND CONJUGATES, SYNTHESIS THEREOF, AND INTERMEDIATES THERETO Smartcells, Inc. (US) 2013-06-05 EP disclosed
WO-2012015687-A2 DRUG-LIGAND CONJUGATES, SYNTHESIS THEREOF, AND INTERMEDIATES THERETO SMARTCELLS, INC. (US) 2012-02-02 WO disclosed
WO-2012015681-A2 DRUG-LIGAND CONJUGATES, SYNTHESIS THEREOF, AND INTERMEDIATES THERETO SMARTCELLS, INC. (US) 2012-02-02 WO disclosed
EP-2408470-A1 Soluble non-depot insulin conjugates and uses thereof Smartcells, Inc. (US) 2012-01-25 EP disclosed
EP-2391216-A1 EXOGENOUSLY TRIGGERED CONTROLLED RELEASE MATERIALS AND USES THEREOF Smartcells, Inc. (US) 2011-12-07 EP disclosed
EP-2391215-A1 BINDING-SITE MODIFIED LECTINS AND USES THEREOF Smartcells, Inc. (US) 2011-12-07 EP disclosed
EP-2391646-A1 CRYSTALLINE INSULIN-CONJUGATES Smartcells, Inc. (US) 2011-12-07 EP disclosed
WO-2010107520-A1 SOLUBLE NON-DEPOT INSULIN CONJUGATES AND USES THEREOF SMARTCELLS, INC. (US) 2010-09-23 WO disclosed
WO-2010088286-A1 SYNTHETIC CONJUGATES AND USES THEREOF SMARTCELLS, INC. (US) 2010-08-05 WO disclosed
WO-2010088261-A1 BINDING-SITE MODIFIED LECTINS AND USES THEREOF SMARTCELLS, INC. (US) 2010-08-05 WO disclosed
WO-2010088300-A1 CRYSTALLINE INSULIN-CONJUGATES SMARTCELLS, INC. (US) 2010-08-05 WO disclosed
WO-2010088268-A1 EXOGENOUSLY TRIGGERED CONTROLLED RELEASE MATERIALS AND USES THEREOF SMARTCELLS, INC. (US) 2010-08-05 WO disclosed
WO-2010088294-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SMARTCELLS, INC. (US) 2010-08-05 WO disclosed