SCHEMBL9619650

SCHEMBL9619650

CC(C)C=C(CCc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
KEAP1 Q14145 1/20 0.50
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
FFAR1 O14842 1/20 0.47
GRIK1 P39086 1/20 0.45
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
GPR52 Q9Y2T5 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HDAC3 O15379 1/20 0.43
MAPK1 P28482 1/20 0.43
ADRA1A P35348 1/20 0.43
HDAC4 P56524 1/20 0.43

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
SCHEMBL9818314 0.83 ALDH1A1 (0.45) ALDH1A1KEAP1KMT2AMEN1FFAR1
SCHEMBL800484 0.82 CYP3A4 (0.58) ALDH1A1KMT2AMEN1GRIK1HDAC8
SCHEMBL9009723 0.82 ALDH1A1 (0.59) ALDH1A1KEAP1KMT2AFFAR1GRIK1
SCHEMBL8166222 0.82 ALDH1A1 (0.59) ALDH1A1KEAP1KMT2AFFAR1GRIK1
SCHEMBL10507164 0.77 ALDH1A1 (0.53) ALDH1A1KEAP1KMT2AMEN1FFAR1
SCHEMBL166472 0.77 KEAP1 (0.55) ALDH1A1KEAP1KMT2AFFAR1GRIK1
SCHEMBL2682990 0.77 KEAP1 (0.55) ALDH1A1KEAP1KMT2AFFAR1GRIK1
SCHEMBL10899478 0.77 KEAP1 (0.55) ALDH1A1KEAP1KMT2AFFAR1GRIK1
SCHEMBL23630344 0.76 ALDH1A1 (0.52) ALDH1A1KEAP1KMT2AMEN1FFAR1
SCHEMBL6451798 0.76 ALDH1A1 (0.52) ALDH1A1KEAP1KMT2AMEN1FFAR1

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
EP-0250090-B1 STORAGE STABLE LATENTLY CURABLE ACRYLIC FORMULATIONS EMPLOYING POLYMERIC HYDROPEROXIDES LOCTITE CORPORATION (US) 1992-01-29 EP disclosed
EP-0250090-A2 Storage stable latently curable acrylic formulations employing polymeric hydroperoxides LOCTITE CORPORATION (US) 1987-12-23 EP disclosed