SCHEMBL5361622

SCHEMBL5361622

CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](n2ccc(NC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)nc2=O)C[C@@H]1O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 7/20 0.40
SIRT2 Q8IXJ6 6/20 0.40
SIRT3 Q9NTG7 3/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
TDP1 Q9NUW8 1/20 0.36
SIRT6 Q8N6T7 1/20 0.35
P2RY2 P41231 1/20 0.35
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
TLR2 O60603 2/20 0.34

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
SCHEMBL5362341 0.84 PLA2G1B (0.42) PLA2G1BATG4BP2RY2
SCHEMBL5369313 0.73 POLB (0.56) PLA2G1BATG4BP2RY2
SCHEMBL2984540 0.73 POLB (0.56) PLA2G1BATG4BP2RY2
SCHEMBL15627697 0.71 LMNA (0.42) TDP1P2RY2
SCHEMBL19788379 0.71 LMNA (0.42) TDP1P2RY2
SCHEMBL837510 0.70 POLB (0.44) P2RY2
SCHEMBL875115 0.70 POLB (0.44) P2RY2
SCHEMBL15627704 0.69 DNMT1 (0.42)
SCHEMBL19788384 0.69 DNMT1 (0.42)
SCHEMBL16298705 0.69 P2RY2 (0.48) PLA2G1BATG4BP2RY2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169765-B1 Acyl deoxyribonucleoside derivatives and uses thereof WELLSTAT THERAPEUTICS CORPORATION (US) 2007-01-30 US disclosed
EP-0712629-B1 Acyl deoxyribonucleoside derivatives and uses thereof WELLSTAT THERAPEUTICS CORP (US) 2003-06-18 EP disclosed
US-6348451-B1 WOUND HEALING AGENTS FOR ANIMALS PRO-NEURON, INC. 2002-02-19 US disclosed
US-6306834-B1 METHODS OF TREATING OR PREVENTING RADIATION, MUTAGEN AND SUNLIGHT-INDUCED BIOLOGICAL DAMAGE, METHODS FOR IMPROVING WOUND HEALING AND TISSUE REPAIR, COMPRISING ADMINISTERING THE COMPOSITIONS OF THE PRESENT INVENTION TO AN ANIMAL. PRO-NEURON, INC. 2001-10-23 US disclosed
US-6297222-B1 TREATING OR PREVENTING RADIATION, MUTAGEN AND SUNLIGHT-INDUCED BIOLOGICAL DAMAGE, AND METHODS FOR IMPROVING WOUND HEALING AND TISSUE REPAIR PRO-NEURON, INC. 2001-10-02 US disclosed
EP-0355131-B1 ACYL DEOXYRIBONUCLEOSIDE DERIVATIVES AND USES THEREOF PRO NEURON INC (US) 1996-09-04 EP disclosed