SCHEMBL8892779

SCHEMBL8892779

COc1ccc(CC(CC(O[Si](C)(C)C(C)(C)C)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 2/20 0.44
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
PSEN1 P49768 3/20 0.42
PSEN2 P49810 3/20 0.42
APH1B Q8WW43 3/20 0.42
NCSTN Q92542 3/20 0.42
APH1A Q96BI3 3/20 0.42
PSENEN Q9NZ42 3/20 0.42
APP P05067 1/20 0.42
ACE P12821 2/20 0.41
ATM Q13315 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 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
SCHEMBL7627153 1.00 KLK5 (0.44) KLK5PPARGPPARAPSEN1PSEN2
SCHEMBL7627160 1.00 KLK5 (0.44) KLK5PPARGPPARAPSEN1PSEN2
SCHEMBL8892786 1.00 KLK5 (0.44) KLK5PPARGPPARAPSEN1PSEN2
SCHEMBL7627383 0.95 PTPN1 (0.45) KLK5PPARGPPARAITGB3ITGA2B
SCHEMBL7627380 0.95 PTPN1 (0.45) KLK5PPARGPPARAITGB3ITGA2B
SCHEMBL5142842 0.93 KLK5 (0.47) KLK5PPARGPPARAPSEN1PSEN2
SCHEMBL7283432 0.93 KLK5 (0.47) KLK5PPARGPPARAPSEN1PSEN2
SCHEMBL6446803 0.93 KLK5 (0.47) KLK5PPARGPPARAPSEN1PSEN2
SCHEMBL6305846 0.93 KLK5 (0.47) KLK5PPARGPPARAPSEN1PSEN2
SCHEMBL7796450 0.93 KLK5 (0.47) KLK5PPARGPPARAPSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663168-A ADMINISTERING INHIBITORS OF HIV ASPARATATE PROTEASES CIBA-GEIGY CORPORATION (US) 1997-09-02 US disclosed
US-5643878-A TREATMENT OF RETROVIRAL DISEASES LIKE AIDS CIBA-GEIGY CORPORATION (US) 1997-07-01 US disclosed
WO-1996016980-A1 MORPHOLINOETHYLAMIDE DERIVATIVES NOVARTIS AG (CH) 1996-06-06 WO disclosed
EP-0626178-A1 Use of inhibitors of HIV-protease for the treatment of tumorous diseases CIBA-GEIGY AG (CH) 1994-11-30 EP disclosed
EP-0618222-A2 Dipeptid derivatives of 5-amino-4-hydroxy-hexanoic acid CIBA-GEIGY AG (CH) 1994-10-05 EP disclosed