SCHEMBL8570762

SCHEMBL8570762

C=CC(O)C(=CN)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
BLM P54132 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL1644506 0.78 GRIK1 (0.31)
SCHEMBL1644502 0.78 GRIK1 (0.31)
SCHEMBL8664479 0.76 LMNA (0.35) TSHR
SCHEMBL9799536 0.69 LMNA (0.35) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL10663515 0.69 LMNA (0.35) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL45157 0.68
SCHEMBL38691 0.67
SCHEMBL16703910 0.67
SCHEMBL310772 0.67
SCHEMBL4687182 0.67 ALDH1A1 (0.33) TSHR

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
US-5858524-A HYDROXYAMINE-CONTAINING ACRYLATE PACKAGING LAMINATES AIR PRODUCTS AND CHEMICALS, INC. (US) 1999-01-12 US claimed
EP-0841157-A2 Flexible laminates bonded with water-based laminating ink vehicles and laminating adhesives AIR PRODUCTS AND CHEMICALS, INC. (US) 1998-05-13 EP claimed
US-5858524-A HYDROXYAMINE-CONTAINING ACRYLATE PACKAGING LAMINATES AIR PRODUCTS AND CHEMICALS, INC. (US) 1999-01-12 US disclosed
EP-0841157-A2 Flexible laminates bonded with water-based laminating ink vehicles and laminating adhesives AIR PRODUCTS AND CHEMICALS, INC. (US) 1998-05-13 EP disclosed