SCHEMBL8938074

SCHEMBL8938074

O=C1c2ccccc2C(=O)N1C(O)CCCCCCCBr

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
POLB P06746 3/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
NFKB1 P19838 1/20 0.42
APEX1 P27695 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GSK3B P49841 1/20 0.36
HDAC1 Q13547 3/20 0.35
HDAC7 Q8WUI4 3/20 0.35

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
SCHEMBL10384427 0.84 ASAH1 (0.49) ALDH1A1POLBMAPK1KDM4ETP53
SCHEMBL22116261 0.84 ASAH1 (0.49) ALDH1A1POLBMAPK1KDM4ETP53
SCHEMBL9831331 0.84 ASAH1 (0.49) ALDH1A1POLBMAPK1KDM4ETP53
SCHEMBL17766503 0.82 ALDH1A1 (0.43) ALDH1A1POLBMAPK1KDM4ETP53
SCHEMBL5161779 0.82 ASAH1 (0.47) ALDH1A1POLBMAPK1KDM4ETP53
SCHEMBL11389346 0.80 ASAH1 (0.44) ALDH1A1POLBMAPK1KDM4ETP53
SCHEMBL7991346 0.78 TNF (0.48) ALDH1A1POLBMAPK1KDM4ETP53
SCHEMBL7520939 0.77 NR1H2 (0.40) ALDH1A1LMNATDP1
SCHEMBL7051684 0.76 ALDH1A1 (0.46) ALDH1A1POLBMAPK1KDM4ETP53
SCHEMBL4627045 0.76 ALDH1A1 (0.46) ALDH1A1POLBMAPK1KDM4ETP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0635023-A4 COVALENTLY CROSS-LINKED OLIGONUCLEOTIDES. ISIS PHARMACEUTICALS INC (US) 1996-03-20 EP disclosed
EP-0635023-A1 COVALENTLY CROSS-LINKED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 1995-01-25 EP disclosed
WO-1993018052-A1 COVALENTLY CROSS-LINKED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 1993-09-16 WO disclosed