SCHEMBL2907033

SCHEMBL2907033

Cc1ccccc1C(=O)C(O)[C@H]1OC(Cl)C[C@@]1(O)C(=O)c1ccccc1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
P2RX7 Q99572 1/20 0.33
HTT P42858 1/20 0.33
CTNNB1 P35222 2/20 0.32
WNT3A P56704 2/20 0.32
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MGLL Q99685 1/20 0.31
NPSR1 Q6W5P4 2/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
ALOX12 P18054 1/20 0.30
KMT2A Q03164 1/20 0.30
PIK3CD O00329 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL5707587 1.00 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3P2RX7HTT
SCHEMBL8960840 1.00 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3P2RX7HTT
SCHEMBL6842407 1.00 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3P2RX7HTT
SCHEMBL3395341 0.87 HTT (0.33) SLC6A2SLC6A4SLC6A3P2RX7HTT
SCHEMBL4750928 0.85 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3P2RX7HTT
SCHEMBL4982728 0.84 P2RX7 (0.32) SLC6A2SLC6A4SLC6A3P2RX7HTT
SCHEMBL5707632 0.84 P2RX7 (0.32) SLC6A2SLC6A4SLC6A3P2RX7HTT
SCHEMBL5707571 0.84 P2RX7 (0.32) SLC6A2SLC6A4SLC6A3P2RX7HTT
SCHEMBL4411815 0.79 CTNNB1 (0.32) P2RX7HTTCTNNB1WNT3AALDH1A1
SCHEMBL4986617 0.79 NPC1 (0.33) SLC6A2SLC6A4SLC6A3P2RX7HTT

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4423212-A Nucleosides and process THE UPJOHN COMPANY (US) 1983-12-27 US claimed
EP-1975256-B1 Modified oligonucleotides for mismatch discrimination EPOCH BIOSCIENCES INC (US) 2012-07-11 EP disclosed
EP-1261616-B1 MODIFIED OLIGONUCLEOTIDES FOR MISMATCH DISCRIMINATION EPOCH BIOSCIENCES INC (US) 2010-08-18 EP disclosed
US-7751982-B2 TM leveling methods ELITECH HOLDING B.V. (NL) 2010-07-06 US disclosed
US-7715989-B2 Systems and methods for predicting oligonucleotide melting temperature (TmS) ELITECH HOLDING B.V. (NL) 2010-05-11 US disclosed
EP-1995330-A1 Modified oligonucleotides for mismatch discrimination Epoch Biosciences, Inc. (US) 2008-11-26 EP disclosed
EP-1975256-A1 Modified oligonucleotides for mismatch discrimination Epoch Biosciences, Inc. (US) 2008-10-01 EP disclosed
EP-1944310-A2 Modified oligonucleotides for mismatch discrimination Epoch Biosciences, Inc. (US) 2008-07-16 EP disclosed
EP-1537488-A4 SYSTEMS AND METHODS FOR PREDICTING OLIGONUCLEOTIDE MELTING TEMPERATURES (TMS) EPOCH BIOSCIENCES INC (US) 2008-07-02 EP disclosed
US-7368549-B2 Tm leveling compositions EPOCH BIOSCIENCES, INC. (US) 2008-05-06 US disclosed
US-5824796-A MEDICAL DIAGNOSIS WITH TARGET DNA OR RNA FOR ENZYME INHIBITORS EPOCH PHARMACEUTICALS, INC. (US) 1998-10-20 US disclosed
EP-0842186-A1 CROSS-LINKING OLIGONUCLEOTIDES MICROPROBE CORPORATION (US) 1998-05-20 EP disclosed
EP-0661979-A4 CROSS-LINKING OLIGONUCLEOTIDES FOR ENZYME-MEDIATED TRIPLE STRAND FORMATION. MICROPROBE CORP (US) 1995-09-13 EP disclosed
EP-0661979-A1 CROSS-LINKING OLIGONUCLEOTIDES FOR ENZYME-MEDIATED TRIPLE STRAND FORMATION MICROPROBE CORPORATION (US) 1995-07-12 EP disclosed
WO-1993003736-A1 CROSS-LINKING OLIGONUCLEOTIDES FOR ENZYME-MEDIATED TRIPLE STRAND FORMATION MICROPROBE CORPORATION (US) 1993-03-04 WO disclosed
WO-1990003370-A1 DERIVATIVES OF PYRAZOLO[3,4-d]PYRIMIDINE MICROPROBE CORPORATION (US) 1990-04-05 WO disclosed
US-4477442-A PENTOFURANOSYL-5,6-DIHYDROTRIAZINES IN TREATMENT OF VIRAL DISEASES THE UPJOHN COMPANY (US) 1984-10-16 US disclosed
US-4423212-A Nucleosides and process THE UPJOHN COMPANY (US) 1983-12-27 US disclosed
US-4239753-A Composition of matter and process THE UPJOHN COMPANY (US) 1980-12-16 US disclosed
US-4171431-A Nucleosides and process THE UPJOHN COMPANY (US) 1979-10-16 US disclosed