SCHEMBL4465746

SCHEMBL4465746

CC(=O)Oc1c(C)ncc2c1COC(C(C)C)OC2

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
P2RX3 P56373 1/20 0.33

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
SCHEMBL9662398 0.68 MAPT (0.36) MAPTKMT2A
SCHEMBL27638774 0.61 KDM4E (0.40) MAPTACHEKDM4E
SCHEMBL27566292 0.60 KDM4E (0.36) MAPTKMT2AKDM4EMEN1CYP1A2
SCHEMBL28749337 0.59 KDM4E (0.40) MAPTACHEKDM4E
SCHEMBL11529781 0.59 CA2 (0.34) MAPTKMT2AKDM4EMEN1
SCHEMBL3488954 0.58 MAPT (0.36) MAPTKMT2AMEN1
SCHEMBL638387 0.58 MAPT (0.36) MAPTKMT2AMEN1
SCHEMBL9836851 0.58 POLB (0.36) MAPTKMT2AKDM4EMEN1CYP1A2
SCHEMBL8486293 0.57 POLB (0.39) MAPTKMT2AACHEKDM4EMEN1
SCHEMBL24980000 0.57 NPC1 (0.40) KMT2AMEN1CYP2D6

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-7495101-B2 Manufacture of vitamin B6 DSM IP ASSETS B.V. (NL) 2009-02-24 US disclosed
US-20070072254-A1 Manufacture of vitamin b6 DSM IP ASSETS B.V. (NL) 2007-03-29 US disclosed