SCHEMBL3021932

SCHEMBL3021932

O=C(O)CC1(CC(=O)O)CC2C=CC1C2

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.33
HSD11B1 P28845 4/20 0.31
CYP1A2 P05177 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
SCHEMBL4880055 0.90 CYP2D6 (0.44) CYP2D6CYP2C19CYP1A2
SCHEMBL3021891 0.81 CYP2D6 (0.36) CYP2D6CYP2C19HSD11B1
SCHEMBL11755065 0.78 CYP2D6 (0.36) CYP2D6CYP2C19POLBCYP1A2
SCHEMBL2873491 0.78 CYP2D6 (0.39) CYP2D6CYP2C19POLBHSD11B1CYP1A2
SCHEMBL11757692 0.78 CYP2D6 (0.36) CYP2D6CYP2C19POLBCYP1A2
SCHEMBL13526458 0.78 CYP2D6 (0.36) CYP2D6CYP2C19POLBHSD11B1
SCHEMBL75380 0.78 CYP2D6 (0.36) CYP2D6CYP2C19POLBCYP1A2
SCHEMBL983564 0.76 CYP2D6 (0.42) CYP2D6CYP2C19
SCHEMBL466190 0.75 CYP2D6 (0.38) CYP2D6CYP2C19
SCHEMBL24703372 0.75 CYP2D6 (0.37) CYP2D6CYP2C19CYP1A2

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