SCHEMBL5360960

SCHEMBL5360960

CCCCCCCCCCCC(=O)C(O)[C@H]1O[C@@H](n2ccc(NC(=O)[C@@H](N)CCCCN)nc2=O)C[C@@H]1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
DNMT1 P26358 2/20 0.34
POLB P06746 1/20 0.33
ROCK2 O75116 1/20 0.33
DNMT3B Q9UBC3 1/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
P2RY2 P41231 1/20 0.32

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
SCHEMBL5357575 1.00 PLA2G1B (0.36) PLA2G1BATG4BMEN1TP53CYP1A2
SCHEMBL5362341 0.84 PLA2G1B (0.42) PLA2G1BATG4BDNMT1POLBDNMT3B
SCHEMBL5365597 0.81 POLB (0.44) MAPTPOLBP2RY2
SCHEMBL5365573 0.81 POLB (0.44) MAPTPOLBP2RY2
SCHEMBL5362377 0.80 POLA1 (0.46) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL5357608 0.79 ADORA3 (0.43)
SCHEMBL5368874 0.79 ADORA3 (0.43)
SCHEMBL9854228 0.74 DNMT1 (0.45) PLA2G1BATG4BDNMT1POLBDNMT3B
SCHEMBL6223079 0.71 DUT (0.44)
SCHEMBL5413908 0.70 POLB (0.46) MAPTDNMT1POLBP2RY2

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 8 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
EP-0712629-A1 Acyl deoxyribonucleoside derivatives and uses thereof PRO-NEURON, INC. (US) 1996-05-22 EP disclosed
EP-0355131-A1 ACYL DEOXYRIBONUCLEOSIDE DERIVATIVES AND USES THEREOF PRO-NEURON, INC. (US) 1990-02-28 EP disclosed