SCHEMBL5079239

SCHEMBL5079239

CN(C)c1ccc(CCOC(=O)OC2CC3C=CC2C3)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 7/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 5/20 0.34
NPC1 O15118 2/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 3/20 0.34
POLB P06746 1/20 0.33
CALM1 P0DP23 2/20 0.33
PPARG P37231 1/20 0.32
EPHX2 P34913 1/20 0.32
CNR1 P21554 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL2139891 0.81 ALDH1A1 (0.51) CNR2KDM4EALDH1A1KMT2AHPGD
SCHEMBL5076832 0.78 CHRM2 (0.38) KDM4EALDH1A1GAASMN1; SMN2MAPT
SCHEMBL26212351 0.78 KDM4E (0.34) KDM4EALDH1A1KMT2AEPHX2
SCHEMBL5352666 0.76 KDM4E (0.33) KDM4EALDH1A1KMT2AHPGDMAPK1
SCHEMBL5076205 0.76 GAA (0.36) KDM4EALDH1A1GAATSHRMAPK1
SCHEMBL2141557 0.76 MEN1 (0.46) CNR2KDM4EALDH1A1KMT2AHPGD
SCHEMBL5079293 0.75 CHRM2 (0.35) KDM4EALDH1A1KMT2AGAATSHR
SCHEMBL5365496 0.74 ALDH1A1 (0.37) KDM4EALDH1A1HPGDNPC1TSHR
SCHEMBL5075638 0.74 SCN5A (0.37) ALDH1A1KMT2ATSHRMAPK1SMN1; SMN2
SCHEMBL5347727 0.73 ALDH1A1 (0.39) KDM4EALDH1A1KMT2AHPGDPOLB

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