Sugi Predict

Sugi Predict / Compounds / SCHEMBL5587024

SCHEMBL5587024

SCHEMBL5587024

CCCCCCCCCCC(NC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)OCc1cccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 10/20 0.60
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ CNR2 P34972 7/20 0.42
▸ CNR1 P21554 3/20 0.42
▸ FAAH O00519 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TGM2 P21980 1/20 0.41

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
SCHEMBL5554654 0.87 EPHX2 (0.58) EPHX2CNR2CNR1FAAH
SCHEMBL27701481 0.85 EPHX2 (0.54) EPHX2CNR2MAPK1
SCHEMBL5559351 0.85 EPHX2 (0.56) EPHX2CNR2CNR1FAAHMAPK1
SCHEMBL5560549 0.79 EPHX2 (0.57) EPHX2
SCHEMBL5587653 0.78 EPHX2 (0.56) EPHX2
SCHEMBL5554998 0.78 EPHX2 (0.57) EPHX2
SCHEMBL3193990 0.78 EPHX2 (0.58) EPHX2
SCHEMBL5559990 0.77 EPHX2 (0.55) EPHX2
SCHEMBL5588396 0.77 EPHX2 (0.54) EPHX2
SCHEMBL1065188 0.75 EPHX2 (1.00) EPHX2

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
EP-1814875-A2 IMPROVED INHIBITORS FOR THE SOLUBLE EPOXIDE HYDROLASE The Regents of the University of California (US) 2007-08-08 — — EP disclosed
WO-2006045119-A9 IMPROVED INHIBITORS FOR THE SOLUBLE EPOXIDE HYDROLASE UNIV CALIFORNIA (US) 2006-05-26 — — WO disclosed
WO-2006045119-A2 IMPROVED INHIBITORS FOR THE SOLUBLE EPOXIDE HYDROLASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-04-27 — — WO disclosed