SCHEMBL4894014

SCHEMBL4894014

C=C(C#N)C(=O)OC(C)OCCOCCCCCC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.39
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
CES2 O00748 2/20 0.36
LPAR1 Q92633 2/20 0.33
LPAR3 Q9UBY5 2/20 0.33
PLA2G2C Q5R387 1/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32
USP2 O75604 1/20 0.32
TLR2 O60603 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
SCHEMBL4891844 0.99 TSHR (0.41) TSHRALDH1A1ZDHHC20MEN1THRB
SCHEMBL4889708 0.95 TSHR (0.41) TSHRALDH1A1ZDHHC20MEN1THRB
SCHEMBL26675841 0.92 TSHR (0.44) TSHRALDH1A1ZDHHC20CES2LPAR1
SCHEMBL4888227 0.89 ALDH1A1 (0.44) TSHRALDH1A1
SCHEMBL4891378 0.86 TSHR (0.46) TSHRALDH1A1LMNAHPGD
SCHEMBL28362652 0.85 TSHR (0.41) TSHRALDH1A1ZDHHC20CES2LPAR1
SCHEMBL4889694 0.85 ALDH1A1 (0.49) TSHRALDH1A1THRB
SCHEMBL6466646 0.83 TSHR (0.49) TSHRALDH1A1LMNAHPGD
SCHEMBL4888281 0.83 ALDH1A1 (0.49) TSHRALDH1A1
SCHEMBL21932828 0.80 TSHR (0.54) TSHRALDH1A1ZDHHC20MEN1THRB

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
CN-110663091-B Composition for sealing coated electric wire 东亚合成株式会社 2022-03-22 CN disclosed
CN-110663091-A Composition for sealing coated electric wire 东亚合成株式会社 2020-01-07 CN disclosed
US-20080293872-A1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER HENKEL AG & CO. KGAA (DE) 2008-11-27 US disclosed
US-20080287574-A1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER HENKEL AG & CO. KGAA (DE) 2008-11-20 US disclosed