SCHEMBL3021891

SCHEMBL3021891

O=C(O)CCC1(CCC(=O)O)CC2C=CC1C2

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 1/20 0.33
HSD11B1 P28845 1/20 0.32
KDM4E B2RXH2 2/20 0.31
HTT P42858 1/20 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
SCHEMBL983564 0.90 CYP2D6 (0.42) CYP2D6CYP2C19KDM4E
SCHEMBL3021932 0.81 CYP2D6 (0.38) CYP2D6CYP2C19HSD11B1
SCHEMBL5079078 0.79 CYP2D6 (0.37) CYP2D6CYP2C19HSD11B1KDM4E
SCHEMBL5837266 0.79 CYP2D6 (0.34) CYP2D6CYP2C19HSD11B1KDM4E
SCHEMBL4880055 0.76 CYP2D6 (0.44) CYP2D6CYP2C19
SCHEMBL5073008 0.73 PTGS1 (0.36) CYP2D6CYP2C19KDM4E
SCHEMBL5837166 0.73 CYP2D6 (0.33) CYP2D6CYP2C19
SCHEMBL5837547 0.73 CYP2D6 (0.33) CYP2D6CYP2C19
SCHEMBL466190 0.72 CYP2D6 (0.38) CYP2D6CYP2C19
SCHEMBL5075112 0.72 PTGS1 (0.37) CYP2D6CYP2C19KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309292-B2 Polyester resin for electrostatic image developing toner and manufacturing method of the same, electrostatic image developing toner, electrostatic image developer and image forming apparatus FUJI XEROX CO., LTD. (JP) 2012-11-13 US disclosed
US-20100196817-A1 POLYESTER RESIN FOR ELECTROSTATIC IMAGE DEVELOPING TONER AND MANUFACTURING METHOD OF THE SAME, ELECTROSTATIC IMAGE DEVELOPING TONER, ELECTROSTATIC IMAGE DEVELOPER AND IMAGE FORMING APPARATUS FUJI XEROX CO., LTD. (JP) 2010-08-05 US disclosed