Sugi Predict

Sugi Predict / Compounds / SCHEMBL4015826

SCHEMBL4015826

SCHEMBL4015826

CC1(C)CCC(NC(=O)NC2CCN(C(=O)CI)CC2)CC1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 18/20 0.68
▸ EPHX1 P07099 3/20 0.45
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ BLM P54132 1/20 0.42

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
SCHEMBL4010087 0.83 EPHX2 (0.64) EPHX2EPHX1ALDH1A1
SCHEMBL4012738 0.83 EPHX2 (0.69) EPHX2EPHX1ALDH1A1
SCHEMBL4109537 0.81 EPHX2 (1.00) EPHX2EPHX1
SCHEMBL4012121 0.79 EPHX2 (0.63) EPHX2EPHX1
SCHEMBL8903167 0.75 NAMPT (0.37) EPHX2ALDH1A1LMNA
SCHEMBL25934490 0.74 EPHX2 (0.44) EPHX2EPHX1ALDH1A1
SCHEMBL3717275 0.73 EPHX2 (0.76) EPHX2EPHX1
SCHEMBL4013855 0.73 EPHX1 (0.61) EPHX2EPHX1ALDH1A1
SCHEMBL13459453 0.71 CTSK (0.51) EPHX2EPHX1ALDH1A1
SCHEMBL2719520 0.69 EPHX2 (1.00) EPHX2EPHX1

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
WO-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 — — WO claimed
WO-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 — — WO disclosed