SCHEMBL9293139

SCHEMBL9293139

COC(CNCCC=C(C)C(=O)O)OC

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CD81 P60033 2/20 0.34
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL28056545 0.81 CYP2D6 (0.38) CD81CYP2D6CYP2C19
SCHEMBL3934005 0.77 CYP2D6 (0.39) CD81CYP2D6CYP2C19
SCHEMBL3934007 0.77 CYP2D6 (0.39) CD81CYP2D6CYP2C19
SCHEMBL636455 0.74 CD81 (0.36) CD81CYP2C19
SCHEMBL7779001 0.74 CD81 (0.36) CD81
SCHEMBL303228 0.74 CD81 (0.36) CD81CYP2C19
SCHEMBL28069094 0.74 CD81 (0.41) CD81
SCHEMBL637549 0.73 PAOX (0.42) CD81
SCHEMBL637548 0.73 PAOX (0.42) CD81
SCHEMBL5086081 0.73 CD81 (0.35) CD81

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-0563299-A4 BALANCED CHARGE POLYMER AND HYDROPHILIC CONTACT LENS MANUFACTURED THEREFROM CESKOSLOVENSKA AKADEMIE VED (CS) 1994-07-20 EP claimed
EP-0563299-A1 BALANCED CHARGE POLYMER AND HYDROPHILIC CONTACT LENS MANUFACTURED THEREFROM Hydron Limited (GB) 1993-10-06 EP claimed
WO-1992011301-A1 BALANCED CHARGE POLYMER AND HYDROPHILIC CONTACT LENS MANUFACTURED THEREFROM ALLERGAN, INC. (US) 1992-07-09 WO claimed