SCHEMBL8892736

SCHEMBL8892736

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)[C@H](C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)O)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.45
PPARG P37231 5/20 0.45
EPHX2 P34913 1/20 0.41
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
PSEN1 P49768 3/20 0.38
PSEN2 P49810 3/20 0.38
APH1B Q8WW43 3/20 0.38
NCSTN Q92542 3/20 0.38
APH1A Q96BI3 3/20 0.38
PSENEN Q9NZ42 3/20 0.38
KLK5 Q9Y337 2/20 0.38
APP P05067 1/20 0.38
CTSS P25774 2/20 0.37
CTSK P43235 2/20 0.37
PPARD Q03181 2/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL8892728 1.00 PPARA (0.45) PPARAPPARGEPHX2ITGB3ITGA2B
SCHEMBL8892904 1.00 PPARA (0.45) PPARAPPARGEPHX2ITGB3ITGA2B
SCHEMBL8892793 0.97 PPARA (0.43) PPARAPPARGEPHX2PSEN1PSEN2
SCHEMBL8892789 0.97 PPARA (0.43) PPARAPPARGEPHX2PSEN1PSEN2
SCHEMBL8893278 0.96 CTSS (0.43) PPARAPPARGEPHX2ITGB3ITGA2B
SCHEMBL8892327 0.96 CTSS (0.43) PPARAPPARGEPHX2ITGB3ITGA2B
SCHEMBL8892335 0.96 CTSS (0.43) PPARAPPARGEPHX2ITGB3ITGA2B
SCHEMBL8893743 0.96 CTSS (0.43) PPARAPPARGEPHX2ITGB3ITGA2B
SCHEMBL8893282 0.96 CTSS (0.43) PPARAPPARGEPHX2ITGB3ITGA2B
SCHEMBL7426534 0.90 CTSS (0.47) ITGB3ITGA2BPSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0618222-A2 Dipeptid derivatives of 5-amino-4-hydroxy-hexanoic acid CIBA-GEIGY AG (CH) 1994-10-05 EP disclosed