SCHEMBL8892992

SCHEMBL8892992

CC(C)(C)OC(=O)N[C@H](Cc1ccc(C(F)(F)F)cc1)[C@H]1C[C@H](Cc2ccc(C(F)(F)F)cc2)C(=O)O1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
CTSS P25774 6/20 0.36
CTSK P43235 5/20 0.36
ATM Q13315 1/20 0.34
SCN9A Q15858 3/20 0.34
PTPRB P23467 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL8892378 1.00 PPARG (0.41) PPARGPPARACTSSCTSKATM
SCHEMBL8893594 0.96 CTSS (0.41) PPARGPPARACTSSCTSKATM
SCHEMBL8893975 0.96 CTSS (0.41) PPARGPPARACTSSCTSKATM
SCHEMBL8893337 0.96 PPARG (0.41) PPARGPPARACTSSCTSKATM
SCHEMBL7426423 0.96 CTSS (0.41) PPARGPPARACTSSCTSKATM
SCHEMBL7426539 0.90 CTSS (0.45) CTSSCTSKATMSCN9A
SCHEMBL7432732 0.88 ATM (0.46) CTSSCTSKATMSCN9ACTSL
SCHEMBL9005035 0.88 ATM (0.46) CTSSCTSKATMSCN9ACTSL
SCHEMBL6312228 0.88 ATM (0.46) CTSSCTSKATMSCN9ACTSL
SCHEMBL7443701 0.88 ATM (0.46) CTSSCTSKATMSCN9ACTSL

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 2 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
EP-0618222-A2 Dipeptid derivatives of 5-amino-4-hydroxy-hexanoic acid CIBA-GEIGY AG (CH) 1994-10-05 EP disclosed