SCHEMBL7955775

SCHEMBL7955775

CC(C)(C)OC(=O)Nc1ccc(COCC(N)CN)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.50
PPARG P37231 3/20 0.48
CYP17A1 P05093 2/20 0.48
CTSS P25774 1/20 0.45
ADAMTS4 O75173 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.43
LTA4H P09960 1/20 0.43
DRD2 P14416 1/20 0.41
MAPK14 Q16539 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GLS O94925 1/20 0.41
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
PTPN11 Q06124 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
PSMB8 P28062 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
SCHEMBL7955771 1.00 PPARA (0.50) PPARAPPARGCYP17A1CTSSADAMTS4
SCHEMBL4184785 0.84 CYP17A1 (0.52) PPARAPPARGCYP17A1PTGDR2DRD2
SCHEMBL34480 0.78 CYP17A1 (0.59) PPARAPPARGCYP17A1PTGDR2DRD2
SCHEMBL16856562 0.78 CYP17A1 (0.53) PPARAPPARGCYP17A1PTGDR2DRD2
SCHEMBL20204187 0.78 CYP17A1 (0.53) PPARAPPARGCYP17A1PTGDR2DRD2
SCHEMBL31739363 0.78 CYP17A1 (0.48) PPARAPPARGCYP17A1ADAMTS4PTGDR2
SCHEMBL7605437 0.77 CYP17A1 (0.49) PPARAPPARGCYP17A1PTGDR2DRD2
SCHEMBL28747809 0.77 PPARG (0.50) PPARAPPARGCYP17A1ADAMTS4PTGDR2
SCHEMBL27577525 0.77 PPARG (0.50) PPARAPPARGCYP17A1ADAMTS4PTGDR2
Hydrochloric Acid SCHEMBL7420599 0.77 CYP17A1 (0.58) PPARAPPARGCYP17A1PTGDR2DRD2

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-6274715-B1 SEMISYNTHETIC MACROLIDES, USEFUL IN BACTERIAL INFECTIONS TREATMENT AND PREVENTION, HAS LESS POTENTIAL FOR DEVELOPING RESISTANCE, IMPROVED OR MODIFIED PROFILES OF DESIRED GRAM-NEGATIVE ACTIVITY ABBOTT LABORATORIES 2001-08-14 US disclosed
EP-0961776-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1999-12-08 EP disclosed
WO-1998030574-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-07-16 WO disclosed