SCHEMBL10138566

SCHEMBL10138566

NC1C2CC3CC1CC(NC(=O)C1CC1)(C3)C2

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.44
EPHX1 P07099 4/20 0.44
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SIGMAR1 Q99720 3/20 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
SCHEMBL16215956 0.81 EPHX2 (0.48) EPHX2EPHX1
SCHEMBL1406566 0.79 EPHX1 (0.50) EPHX2EPHX1SIGMAR1
SCHEMBL13195554 0.79 EPHX1 (0.50) EPHX2EPHX1SIGMAR1
SCHEMBL1406564 0.79 EPHX1 (0.50) EPHX2EPHX1SIGMAR1
SCHEMBL15436731 0.79 EPHX2 (0.50) EPHX2EPHX1
SCHEMBL13195984 0.79 EPHX2 (0.50) EPHX2EPHX1
Hydrochloric Acid SCHEMBL1407060 0.78 EPHX1 (0.49) EPHX2EPHX1SIGMAR1
Hydrochloric Acid SCHEMBL1406838 0.78 EPHX1 (0.49) EPHX2EPHX1SIGMAR1
SCHEMBL2638872 0.77 EPHX2 (0.57) EPHX2EPHX1SIGMAR1
SCHEMBL13195994 0.77 EPHX2 (0.44) EPHX2EPHX1L3MBTL1

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-2012059932-A1 2, 4 -DIAMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-10 WO disclosed