SCHEMBL5505557

SCHEMBL5505557

Nc1cc2c(cc1C1CC1)NC(=O)C2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
AHR P35869 4/20 0.42
CMA1 P23946 2/20 0.42
EIF2AK2 P19525 1/20 0.41
SMYD3 Q9H7B4 10/20 0.39
PDK2 Q15119 1/20 0.39
GRIA1 P42261 2/20 0.39
CACNG8 Q8WXS5 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL5502648 0.93 EPHX2 (0.51) EPHX2AHRCMA1EIF2AK2SMYD3
SCHEMBL2491904 0.81 AHR (0.50) EPHX2AHRCMA1EIF2AK2SMYD3
SCHEMBL5498091 0.76 PGR (0.43) EPHX2AHRCMA1EIF2AK2SMYD3
SCHEMBL11106607 0.75 AHR (0.53) AHRCMA1EIF2AK2SMYD3PDK2
SCHEMBL2486755 0.75 GRIA1 (0.51) EPHX2AHRCMA1EIF2AK2PDK2
SCHEMBL31010750 0.74 AHR (0.59) EPHX2AHRCMA1EIF2AK2PDK2
SCHEMBL4779821 0.74 SRC (0.43) EPHX2AHRCMA1EIF2AK2
SCHEMBL5499322 0.74 EPHX2 (0.39) EPHX2AHRCMA1EIF2AK2SMYD3
SCHEMBL5502470 0.73 F10 (0.37) EPHX2SMYD3GRIA1CACNG8
SCHEMBL5502999 0.73 F10 (0.37) EPHX2SMYD3GRIA1CACNG8

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