SCHEMBL7160761

SCHEMBL7160761

C=CCOC(=O)C1(C2C3CC4CC(C3)CC2C4)CC2C=CC1C2

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.33
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL2190675 0.80 CYP2D6 (0.33) EPHX2CYP2D6CYP2C19
SCHEMBL5318552 0.77 CYP2D6 (0.33) EPHX2CYP2D6CYP2C19
SCHEMBL5066632 0.75 P2RX7 (0.34) EPHX2CYP2D6CYP2C19
SCHEMBL4251161 0.69 CYP2D6 (0.32) CYP2D6CYP2C19
SCHEMBL32688724 0.68 EPHX2 (0.34) EPHX2CYP2D6CYP2C19
SCHEMBL7797331 0.67 ALDH1A1 (0.50) EPHX2CYP2D6CYP2C19
SCHEMBL6559153 0.65 NPSR1 (0.53) EPHX2
SCHEMBL2566839 0.64 EPHX2 (0.38) EPHX2
SCHEMBL565960 0.62 CYP2D6 (0.37) CYP2D6CYP2C19
SCHEMBL565525 0.61 HSD11B1 (0.35) EPHX2CYP2D6CYP2C19

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
US-20030180659-A1 Resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-09-25 US disclosed