SCHEMBL7081579

SCHEMBL7081579

NC(=O)OC(=S)NC12CCC(CC1)C2

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.36
EPHX1 P07099 2/20 0.33
ALDH1A1 P00352 2/20 0.31
HTT P42858 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
MCOLN3 Q8TDD5 1/20 0.30

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
SCHEMBL3073771 0.86 EPHX2 (0.34) EPHX2
SCHEMBL3067213 0.86 EPHX2 (0.39) EPHX2EPHX1ALDH1A1
SCHEMBL3070343 0.83 EPHX2 (0.32) EPHX2
SCHEMBL3069016 0.77 EPHX2 (0.39) EPHX2EPHX1ALDH1A1HTTNPSR1
SCHEMBL1605426 0.76 EPHX2 (0.40) EPHX2EPHX1ALDH1A1HTTCRHBP
SCHEMBL9011407 0.76 EPHX2 (0.40) EPHX2EPHX1ALDH1A1HTT
SCHEMBL3068765 0.76 EPHX1 (0.46) EPHX2EPHX1ALDH1A1HTTNPSR1
SCHEMBL3082239 0.76 EPHX2 (0.60) EPHX2EPHX1ALDH1A1HTTNPSR1
SCHEMBL3078419 0.75 EPHX2 (0.32) EPHX2
SCHEMBL3058575 0.75 EPHX2 (0.37) EPHX2EPHX1ALDH1A1HTTNPSR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed