SCHEMBL8892508

SCHEMBL8892508

COc1ccc(C[C@@H]2C[C@@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)OC2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
CACNA1G O43497 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
CTSS P25774 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
AGTR1 P30556 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL7630662 1.00 ATM (0.41) ATMCACNA1GPPARGPPARACTSS
SCHEMBL7629163 0.95 BCL2 (0.44) CACNA1BSRC
SCHEMBL7432732 0.93 ATM (0.46) ATMCTSSCTSLCTSBCTSK
SCHEMBL9005035 0.93 ATM (0.46) ATMCTSSCTSLCTSBCTSK
SCHEMBL7443701 0.93 ATM (0.46) ATMCTSSCTSLCTSBCTSK
SCHEMBL6312228 0.93 ATM (0.46) ATMCTSSCTSLCTSBCTSK
SCHEMBL7637348 0.92 ATM (0.43) ATMPPARGPPARACTSSCTSL
SCHEMBL7629109 0.91 BCL2 (0.47) ACEKLK5HDAC8
SCHEMBL7299923 0.91 BCL2 (0.47) ACEKLK5HDAC8
SCHEMBL7293948 0.91 BCL2 (0.47) ACEKLK5HDAC8

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