SCHEMBL7989526

SCHEMBL7989526

CCOCCOc1ccc(-c2nc(C(=O)OCC)c(-c3ccc(Cl)cc3)[nH]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.50
SIRT1 Q96EB6 1/20 0.50
SIRT3 Q9NTG7 1/20 0.50
MAPT P10636 4/20 0.47
TARBP2 Q15633 1/20 0.47
TP53 P04637 1/20 0.46
MDM2 Q00987 1/20 0.46
GCGR P47871 2/20 0.45
ALOX5 P09917 2/20 0.43
VCP P55072 1/20 0.43
PTPN11 Q06124 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
P2RY12 Q9H244 1/20 0.42
ACHE P22303 2/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
POLB P06746 2/20 0.41
CYP1A2 P05177 1/20 0.41
HRH2 P25021 1/20 0.41

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
SCHEMBL7991913 0.93 SIRT2 (0.48) SIRT2SIRT1SIRT3MAPTTARBP2
SCHEMBL7988436 0.93 SIRT2 (0.48) SIRT2SIRT1SIRT3MAPTTARBP2
SCHEMBL7988060 0.92 SIRT2 (0.50) SIRT2SIRT1SIRT3MAPTTARBP2
SCHEMBL7977351 0.89 PDE3B (0.43) SIRT2SIRT1SIRT3MAPTGCGR
SCHEMBL7977741 0.89 SIRT2 (0.48) SIRT2SIRT1SIRT3MAPTTARBP2
SCHEMBL7988171 0.89 SIRT2 (0.49) SIRT2SIRT1SIRT3MAPTTARBP2
SCHEMBL7991299 0.89 SIRT2 (0.49) SIRT2SIRT1SIRT3MAPTTARBP2
SCHEMBL7988443 0.84 PRMT5 (0.56) SIRT2SIRT1SIRT3MAPTPTPN11
SCHEMBL7991728 0.82 SIRT2 (0.53) SIRT2SIRT1SIRT3MAPTTARBP2
SCHEMBL7990020 0.81 MEN1 (0.55) MAPTVCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed