SCHEMBL6444903

SCHEMBL6444903

OC[C@H]1O[C@@H]1[C@H]1O[C@@H]1CO

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.50
LMNA P02545 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TXNRD1 Q16881 2/20 0.39
TXNRD3 Q86VQ6 2/20 0.39
TXNRD2 Q9NNW7 2/20 0.39
LGALS1 P09382 2/20 0.36
LGALS3 P17931 2/20 0.36
LGALS9 O00182 1/20 0.36
LGALS8 O00214 1/20 0.36
GAA P10253 1/20 0.31
PYGB P11216 1/20 0.31

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
SCHEMBL109590 1.00 ALDH1A1 (0.50) ALDH1A1TSHRLMNATDP1TXNRD1
SCHEMBL7710650 0.85
SCHEMBL7151730 0.78
SCHEMBL10380720 0.78
SCHEMBL10380712 0.78
SCHEMBL10382147 0.78
SCHEMBL10380710 0.78
SCHEMBL1389568 0.78
SCHEMBL18897546 0.77 ALDH1A1 (0.35) ALDH1A1TSHRLMNATDP1LGALS3
SCHEMBL14162282 0.76 LMNA (0.50) ALDH1A1TSHRLMNATDP1TXNRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0839798-B1 Intermediates for preparating non-peptide retroviral protease inhibitors ABBOTT LAB (US) 2005-08-17 EP disclosed
EP-0402646-B1 Retroviral protease inhibiting compounds ABBOTT LAB (US) 1998-07-22 EP disclosed
EP-0839798-A2 Intermediates for preparating non-peptide retroviral protease inhibitors ABBOTT LABORATORIES (US) 1998-05-06 EP disclosed
US-5670675-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-09-23 US disclosed
US-5545750-A TREATING HUMAN IMMUNODEFICIENCY VIRUS ABBOTT LABORATORIES (US) 1996-08-13 US disclosed
US-5142056-A Human immunodeficiency virus protease inhibitor ABBOTT LABORATORIES (US) 1992-08-25 US disclosed
EP-0402646-A1 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1990-12-19 EP disclosed