SCHEMBL4757694

SCHEMBL4757694

COCCN(CCOC)C(=O)c1cc(C=O)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
HPGD P15428 4/20 0.45
TRIM24 O15164 1/20 0.45
ALDH5A1 P51649 1/20 0.45
ABAT P80404 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TRIM33 Q9UPN9 1/20 0.45
AOX1 Q06278 1/20 0.42
PTGS2 P35354 3/20 0.41
KDM4E B2RXH2 3/20 0.41
RAB9A P51151 2/20 0.41
HSP90AA1 P07900 3/20 0.40
HSP90AB1 P08238 2/20 0.40
TSHR P16473 1/20 0.38
APP P05067 1/20 0.37
FDPS P14324 1/20 0.37
MLYCD O95822 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36

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
SCHEMBL4756882 0.82 PTGS2 (0.46) ALDH1A1HPGDTRIM24ALDH5A1ABAT
SCHEMBL2929635 0.81 APP (0.44) ALDH1A1HPGDTRIM24ALDH5A1ABAT
SCHEMBL4755662 0.80 SRC (0.37) ALDH1A1HPGDKDM4ETSHRMLYCD
SCHEMBL31055908 0.77 ALDH1A1 (0.50) ALDH1A1HPGDTRIM24ALDH5A1ABAT
SCHEMBL4756900 0.76 HPGD (0.47) ALDH1A1HPGDTRIM24ALDH5A1ABAT
SCHEMBL31247666 0.76 L3MBTL1 (0.53) ALDH1A1HPGDTRIM24ALDH5A1ABAT
SCHEMBL19903827 0.72 MLYCD (0.66) ALDH1A1HPGDRAB9AHSP90AA1HSP90AB1
SCHEMBL853107 0.72 PTGS2 (0.69) ALDH1A1HPGDTRIM24ALDH5A1ABAT
SCHEMBL31247877 0.70 ALDH1A1 (0.53) ALDH1A1HPGDTRIM24ALDH5A1ABAT
SCHEMBL2612584 0.70 L3MBTL1 (0.53) ALDH1A1HPGDTRIM24ALDH5A1ABAT

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-1879661-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-01-23 EP claimed
WO-2006119821-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLCHAFT AUF AKTIEN (DE) 2006-11-16 WO claimed