SCHEMBL5504031

SCHEMBL5504031

CC(C)Cc1cc2c(cc1[N+](=O)[O-])CC(=O)N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
PGR P06401 1/20 0.40
FBP1 P09467 3/20 0.38
TDP2 O95551 1/20 0.36
AHR P35869 3/20 0.35
CMA1 P23946 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
SLC6A4 P31645 1/20 0.34
DRD3 P35462 1/20 0.34
OPRK1 P41145 1/20 0.34
HTR2B P41595 1/20 0.34
EIF2AK2 P19525 1/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.34
BCL6 P41182 1/20 0.33
BCOR Q6W2J9 1/20 0.33
GRIA1 P42261 1/20 0.33
CACNG8 Q8WXS5 1/20 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
SCHEMBL5502223 0.87 PGR (0.45) PGRTDP2AHRCMA1EIF2AK2
SCHEMBL5498169 0.82 PGR (0.41) PGRTDP2AHRCMA1CYP2D6
SCHEMBL5508737 0.80 PGR (0.41) PGRTDP2AHRCMA1CYP1A2
SCHEMBL4661785 0.79 PGR (0.43) PGRTDP2AHRCMA1EIF2AK2
SCHEMBL5501521 0.78 PGR (0.40) PGRTDP2AHRCMA1EIF2AK2
SCHEMBL5502645 0.77 PGR (0.40) PGRTDP2AHRCMA1CYP1A2
SCHEMBL5499443 0.77 VDR (0.42) AHRCMA1EIF2AK2GRIA1CACNG8
SCHEMBL5502745 0.77 PGR (0.46) PGRTDP2AHRCMA1EIF2AK2
SCHEMBL5506219 0.76 PGR (0.39) PGRTDP2AHRCMA1EIF2AK2
SCHEMBL4507222 0.74 MAPT (0.49) PGRTDP2AHRCMA1EIF2AK2

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
EP-1781642-A1 OXAZOLIDINONES CONTAINING OXINDOLES AS ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company LLC (US) 2007-05-09 EP disclosed
WO-2006016221-A1 OXAZOLIDINONES CONTAINING OXINDOLES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-02-16 WO disclosed