SCHEMBL14717015

SCHEMBL14717015

CCOCCOC(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
FABP5 Q01469 3/20 0.43
FABP7 O15540 2/20 0.43
TLR2 O60603 2/20 0.41
KMT2A Q03164 2/20 0.41
CASP3 P42574 1/20 0.40
EPHX2 P34913 1/20 0.39
MDM4 O15151 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL415413 0.87 KMT2A (0.45) PPARGPPARAFABP5FABP7TLR2
SCHEMBL17339044 0.87 KMT2A (0.45) PPARGPPARAFABP5FABP7TLR2
SCHEMBL29203790 0.87 KMT2A (0.45) PPARGPPARAFABP5FABP7TLR2
SCHEMBL29203732 0.87 KMT2A (0.45) PPARGPPARAFABP5FABP7TLR2
SCHEMBL570371 0.84 KMT2A (0.49) PPARGPPARAFABP5FABP7TLR2
SCHEMBL27805682 0.83 PPARG (0.40) PPARGPPARAFABP5FABP7TLR2
SCHEMBL2040433 0.78 KMT2A (0.50) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL1829604 0.76 FABP5 (0.50) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL1829602 0.76 FABP5 (0.50) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL21838009 0.75 TLR2 (0.58) TLR2CASP3MDM4TP53

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
US-8952095-B2 Cross-linking agents for hydrogels that contain cleavable peptides and short-chain polymers CELLENDES GMBH (DE) 2015-02-10 US disclosed
US-20130052736-A1 CROSS-LINKING AGENTS FOR HYDROGELS THAT CONTAIN CLEAVABLE PEPTIDES AND SHORT-CHAIN POLYMERS CELLENDES GMBH (DE) 2013-02-28 US disclosed