SCHEMBL7480453

SCHEMBL7480453

[CH2]CC[C@@H](O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.55
LMNA P02545 1/20 0.54
KDM4E B2RXH2 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
AOC3 Q16853 5/20 0.48
BCAT2 O15382 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL3591601 1.00 RIPK1 (0.55) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL6199357 0.88 RIPK1 (0.53) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL130221 0.86 RIPK1 (0.52) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL3081755 0.85 RIPK1 (0.64) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL5185803 0.85 RIPK1 (0.64) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL11234621 0.85 RIPK1 (0.50) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL11828179 0.82 RIPK1 (0.61) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL8710104 0.82 RIPK1 (0.61) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL29860819 0.82 RIPK1 (0.61) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL4837244 0.82 RIPK1 (0.61) RIPK1LMNAKDM4EL3MBTL1AOC3

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
CN-1111156-C Alpha, alpha'-diaminoalcohol and preparation process thereof HOFFMANN LA ROCHE (CH) 2003-06-11 CN claimed
CN-1275563-A Alpha, alpha'-diaminoalcohol and preparation process thereof HOFFMANN LA ROCHE (CH) 2000-12-06 CN claimed
CN-1099387-A Process for the preparation of beta-aminoalcohols HOFFMANN LA ROCHE (CH) 1995-03-01 CN claimed
CN-1052482-A AMINO ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 1991-06-26 CN claimed
CN-1244575-C Sulfonylalkylamido hydroxyethylamino sulfonamide retroviral protease inhibitors SEARLE & CO (US) 2006-03-08 CN disclosed
CN-1204144-C Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors SEARLE & CO (US) 2005-06-01 CN disclosed
CN-1178954-C Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G��D��ɪ����˾ 2004-12-08 CN disclosed
CN-1530372-A Inhibitor of hecterocyclic oxoaminoethylol aminosulfonic amine reverse transcripted virus protenase G.D.ɪ����˾ 2004-09-22 CN disclosed
CN-1149223-C Heterocyclic carbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G��D��ɪ����˾ 2004-05-12 CN disclosed
CN-1476436-A Novel compounds for use as HIV protease inhibitors - 2004-02-18 CN disclosed
CN-1066329-C Preparation of drug composition HOFFMANN LA ROCHE (CH) 2001-05-30 CN disclosed
CN-1196732-A Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors SEARLE & CO (US) 1998-10-21 CN disclosed
CN-1186499-A Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors SEARLE & CO (US) 1998-07-01 CN disclosed
CN-1183767-A Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors SEARLE & CO (US) 1998-06-03 CN disclosed
CN-1183102-A Heterocyclic carbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors SEARLE & CO (US) 1998-05-27 CN disclosed
EP-0813543-A1 BIS-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-12-29 EP disclosed
WO-1997018205-A1 SUBSTITUTED SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-05-22 WO disclosed
WO-1996028464-A1 BIS-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-19 WO disclosed
EP-0666841-A1 SUCCINOYLAMINO HYDROXYETHYLAMINO SULFAMIC ACID DERIVATIVES USEFUL AS RETROVIRAL PROTEASE INHIBITORS. SEARLE & CO (US) 1995-08-16 EP disclosed
CN-1052482-A AMINO ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 1991-06-26 CN disclosed