SCHEMBL5161779

SCHEMBL5161779

CCCCCC(O)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 1/20 0.47
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
ALDH1A1 P00352 4/20 0.43
ALDH2 P05091 1/20 0.43
ALDH3A1 P30838 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
NFKB1 P19838 1/20 0.43
APEX1 P27695 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
CES1 P23141 2/20 0.42

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
SCHEMBL9831331 0.98 ASAH1 (0.49) ASAH1NR1H2NR1H3ALDH1A1ALDH2
SCHEMBL22116261 0.98 ASAH1 (0.49) ASAH1NR1H2NR1H3ALDH1A1ALDH2
SCHEMBL10384427 0.98 ASAH1 (0.49) ASAH1NR1H2NR1H3ALDH1A1ALDH2
SCHEMBL11389346 0.95 ASAH1 (0.44) ASAH1NR1H2NR1H3ALDH1A1ALDH2
SCHEMBL7051684 0.88 ALDH1A1 (0.46) ALDH1A1KDM4ETP53GLAPOLB
SCHEMBL28807146 0.83 NR1H2 (0.44) ASAH1NR1H2NR1H3ALDH1A1ALDH2
SCHEMBL17766503 0.83 ALDH1A1 (0.43) ALDH1A1KDM4ETP53GLAPOLB
SCHEMBL6655664 0.83 NR1H2 (0.46) ASAH1NR1H2NR1H3ALDH1A1ALDH2
SCHEMBL8938074 0.82 ALDH1A1 (0.42) ALDH1A1KDM4ETP53GLAPOLB
SCHEMBL20469318 0.81 NR1H2 (0.49) ASAH1NR1H2NR1H3ALDH1A1ALDH2

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
EP-1036096-B1 SUPPORTED POLYMERISATION CATALYST WARWICK EFFECT POLYMERS LTD (GB) 2007-03-28 EP disclosed
US-6664350-B1 Supported polymerisation catalyst UNIVERSITY OF WARWICK (GB) 2003-12-16 US disclosed
EP-1036096-A1 SUPPORTED POLYMERISATION CATALYST UNIVERSITY OF WARWICK (GB) 2000-09-20 EP disclosed
WO-1999028352-A1 SUPPORTED POLYMERISATION CATALYST UNIVERSITY OF WARWICK (GB) 1999-06-10 WO disclosed