SCHEMBL7863676

SCHEMBL7863676

C=C(CC)C(=O)OC(=O)C(C)=CCCC

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
TSHR P16473 2/20 0.31

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
SCHEMBL9436233 0.87 CYP2D6 (0.36) CYP2D6CYP2C19
SCHEMBL10527168 0.86 TSHR (0.34) CYP2D6CYP2C19TSHR
SCHEMBL9363621 0.85 CYP2D6 (0.33) CYP2D6CYP2C19
SCHEMBL3896936 0.82 CYP2D6 (0.33) CYP2D6CYP2C19
SCHEMBL156660 0.80 TDP1 (0.32) TSHR
SCHEMBL28228324 0.80 CYP2D6 (0.34) CYP2D6CYP2C19
SCHEMBL6067659 0.80 TSHR (0.34) CYP2D6CYP2C19TSHR
SCHEMBL21714633 0.79 GRIK1 (0.34) CYP2D6CYP2C19
SCHEMBL5537781 0.78 TSHR (0.37) CYP2D6CYP2C19TSHR
SCHEMBL22023124 0.78 GRIK1 (0.32) CYP2D6CYP2C19

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-6301770-B1 Method for forming lighting sheet NSI ENTERPRISES, INC. 2001-10-16 US disclosed