SCHEMBL8796249

SCHEMBL8796249

O=C(OCc1ccccc1)N1C[C@H](O)[C@@H](O)[C@@H]2O[C@H](c3ccccc3)OC[C@H]21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.41
KLK7 P49862 2/20 0.40
KLK5 Q9Y337 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
AGTR2 P50052 1/20 0.39
HTR2C P28335 1/20 0.39
TMEM97 Q5BJF2 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL9077430 1.00 PREP (0.41) PREPKLK7KLK5MEN1KMT2A
SCHEMBL8838990 0.88 L3MBTL1 (0.44) PREPKLK7KLK5MEN1KMT2A
SCHEMBL8900608 0.87 KLK7 (0.41) PREPKLK7KLK5MEN1KMT2A
SCHEMBL19499310 0.87 KLK7 (0.41) PREPKLK7KLK5MEN1KMT2A
SCHEMBL8795737 0.86 L3MBTL1 (0.42) PREPKLK7KLK5MEN1KMT2A
SCHEMBL9078167 0.86 L3MBTL1 (0.47) PREPKLK7KLK5MEN1KMT2A
SCHEMBL9079150 0.85 KLK7 (0.38) PREPKLK7KLK5L3MBTL1AGTR2
SCHEMBL9092835 0.83 PRCP (0.40) PREPKLK7KLK5L3MBTL1HTR2C
SCHEMBL9037725 0.82 L3MBTL1 (0.39) PREPKLK7KLK5L3MBTL1AGTR2
SCHEMBL19506208 0.81 TMEM97 (0.38) PREPKLK7KLK5MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0659180-B1 ANTI-VIRAL SULFUR-ANALOGUES OF 1,5-DIDEOXY-1,5-IMINO-D-GLUCITOL (DEOXYNOJIRIMYCIN) SEARLE & CO (US) 1997-12-10 EP disclosed
US-5639882-A CHEMICAL INTERMEDIATES FOR FORMING VIRICIDES INHIBITING LENTIVIRUSES G. D. SEARLE & CO. (US) 1997-06-17 US disclosed
US-5637707-A STEREOSELECTIVELY ADDING ORGANONETALLIC REAGENT BY NUCLEOPHILIC ADDITION TO KETONE COMPOUND G. D. SEARLE & CO. (US) 1997-06-10 US disclosed
EP-0566557-B1 2- and 3- amino and azido derivatives of 1,5-iminosugars as antiviral compounds SEARLE & CO (US) 1996-09-04 EP disclosed
US-5550243-A ACYLATING DEOXYNOJIRIMYCIN, PROTECTING C-4 AND C-6 HYDROXYLS BY ACETALIZATION OR KETALIZATION, SULFONYLATING HYDROXYL AT C-2, FORMING EPOXIDE AT C-2 AND C-3, OPENING EPOXIDE BY NUCLEOPHILIC ATTACK WITH AZIDE COMPOUND G. D. SEARLE & CO. (US) 1996-08-27 US disclosed
EP-0566556-B1 2-Substituted tertiary carbinol derivatives of 1,5-iminosugars as antiviral compounds SEARLE & CO (US) 1996-07-03 EP disclosed
US-5530132-A VIRICIDES, HIV VIRUS G. D. SEARLE & CO. (US) 1996-06-25 US disclosed
US-5523406-A STEREOSPECIFIC ALKYLATION BY NUCLEOPHILIC ADDITION AT C-2 WITH A GRIGNARD REAGENT G. D. SEARLE & CO. (US) 1996-06-04 US disclosed
US-5502193-A VIRICIDES FOR AIDS G. D. SEARLE & CO. (US) 1996-03-26 US disclosed
US-5436341-A Intermediates for 2,3-diamino-1,5-iminosugars G. D. SEARLE & CO. (US) 1995-07-25 US disclosed
US-5391746-A Inhibitors of lentiviruses; deoxynojirimycin derivatives G. D. SEARLE & CO. (US) 1995-02-21 US disclosed
US-5350854-A AIDS treatment G. D. SEARLE & CO. (US) 1994-09-27 US disclosed
US-5342951-A Inhibiting glycosidase enzymes, antiviral compounds G.D. SEARLE & CO. (US) 1994-08-30 US disclosed
US-5334717-A Inhibit lentiviruses G. D. SEARLE & CO. (US) 1994-08-02 US disclosed
US-5331096-A Viricides, HIV, enzyme inhibitors G. D. SEARLE & CO. (US) 1994-07-19 US disclosed
WO-1994005635-A1 ANTI-VIRAL SULFUR-ANALOGUES OF 1,5-DIDEOXY-1,5-IMINO-D-GLUCITOL (DEOXYNOJIRIMYCIN) G.D. SEARLE & CO. (US) 1994-03-17 WO disclosed
US-5258518-A Antiviral agents, anti-HIV activity G. D. SEARLE & CO. (US) 1993-11-02 US disclosed
EP-0566557-A1 2- and 3- amino and azido derivatives of 1,5-iminosugars as antiviral compounds G.D. SEARLE & COMPANY (US) 1993-10-20 EP disclosed
US-5216168-A Lentivirus inhibitors G. D. SEARLE & CO. (US) 1993-06-01 US disclosed
US-5206251-A Viricide G. D. SEARLE & CO. (US) 1993-04-27 US disclosed