SCHEMBL8069337

SCHEMBL8069337

C=CO/C(=C\CCCC)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.44
GRIK1 P39086 1/20 0.40
TSHR P16473 4/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.36
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
APEX1 P27695 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL133163 0.80 GRIK1 (0.33) GRIK1TSHRALDH1A1LMNAALOX15
SCHEMBL1036474 0.79 EP300 (0.48) EP300GRIK1TSHRF7F3
SCHEMBL2721271 0.77 EP300 (0.47) EP300GRIK1TSHRALDH1A1HPGD
SCHEMBL6576162 0.76 EP300 (0.46) EP300GRIK1TSHRALDH1A1HPGD
SCHEMBL28950450 0.74 EP300 (0.44) EP300GRIK1TSHRF7F3
SCHEMBL19119225 0.74 EP300 (0.44) EP300GRIK1TSHRF7F3
SCHEMBL8503771 0.74 EP300 (0.44) EP300GRIK1TSHRHPGDF7
SCHEMBL8197132 0.74 TSHR (0.37) EP300GRIK1TSHRALDH1A1HPGD
SCHEMBL73330 0.74 GRIK1 (0.44) EP300GRIK1TSHRALDH1A1HPGD
SCHEMBL4562012 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0678534-B1 Gels having thermotropic properties BASF AG (DE) 2000-06-28 EP disclosed
EP-0617102-B1 Adhesives based on polyvinylether copolymers BASF AG (DE) 1997-10-22 EP disclosed
EP-0678534-A1 Gels having thermotropic properties BASF Aktiengesellschaft (DE) 1995-10-25 EP disclosed