SCHEMBL5076248

SCHEMBL5076248

CN(C)c1cccc(OC(=O)OC2CC3C=CC2C3)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.44
ACHE P22303 1/20 0.44
FAAH O00519 1/20 0.35
CCKBR P32239 2/20 0.35
FFAR1 O14842 1/20 0.35
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 2/20 0.34
MAPT P10636 2/20 0.34
CYP2C19 P33261 2/20 0.34
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GFER P55789 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
USP2 O75604 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
SCHEMBL2140254 0.80 BCHE (0.46) BCHEACHEFAAHCCKBRFFAR1
SCHEMBL2141596 0.76 BCHE (0.49) BCHEACHEFAAHCCKBRFFAR1
SCHEMBL5076187 0.75 GAA (0.41) KMT2AMAPTHSD17B10KDM4EUSP2
SCHEMBL5076186 0.74 GAA (0.39) CYP2C19HSD17B10KDM4ESMN1; SMN2USP2
SCHEMBL14449006 0.72 KDM4E (0.47) KMT2AHSD17B10KDM4ERAB9AALDH1A1
SCHEMBL4402348 0.72 KDM4E (0.47) KMT2AHSD17B10KDM4ERAB9AALDH1A1
SCHEMBL2529775 0.71 BCHE (0.59) BCHEACHEFAAHCCKBRKMT2A
SCHEMBL5079239 0.70 CNR2 (0.36) KMT2AMAPTHSD17B10KDM4ENPC1
SCHEMBL5182162 0.69 KDM4E (0.42) KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8375848 0.69 BCHE (0.65) BCHEACHEFAAHCCKBRKMT2A

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
EP-1937734-A2 BIOCIDAL POLYMERS KE-KELIT Kunststoffwerk Gesellschaft m.b.H. (AT) 2008-07-02 EP disclosed
WO-2007045634-A2 BIOCIDAL POLYMERS KE KELIT KUNSTSTOFFWERK GESMBH (AT) 2007-04-26 WO disclosed