SCHEMBL8570768

SCHEMBL8570768

NC=C(CC=CO)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABAT P80404 1/20 0.32
GABRR1 P24046 2/20 0.32
GABRR2 P28476 2/20 0.32
BLM P54132 2/20 0.32
TSHR P16473 2/20 0.32
GABRR3 A8MPY1 1/20 0.32
LMNA P02545 1/20 0.32
APEX1 P27695 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX15 P16050 1/20 0.32
GRIK1 P39086 1/20 0.30
GRIK2 Q13002 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL8948788 0.79 ABAT (0.35) ABATGABRR1GABRR2BLMTSHR
SCHEMBL1644507 0.78 GRIK1 (0.40) TSHRALDH1A1CYP2D6ALOX15GRIK1
SCHEMBL8664480 0.76 TSHR (0.50) GABRR1GABRR2BLMTSHRGABRR3
SCHEMBL7660541 0.73
SCHEMBL45772 0.73
SCHEMBL10386538 0.73
SCHEMBL9799550 0.69 ALDH1A1 (0.38) ALDH1A1CYP2D6ALOX15
SCHEMBL45158 0.68
SCHEMBL9749256 0.68
SCHEMBL9284916 0.67 CYP3A4 (0.58) TSHRALDH1A1GRIK1

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