SCHEMBL7039736

SCHEMBL7039736

CC(c1ccccc1)C(O)c1cncs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ADRA2A P08913 1/20 0.39
LMNA P02545 1/20 0.39
HIF1A Q16665 1/20 0.39
SLC6A3 Q01959 8/20 0.39
ALDH1A1 P00352 2/20 0.38
CHRM2 P08172 1/20 0.37
ADRA1A P35348 1/20 0.37
RGS12 O14924 1/20 0.37
GLA P06280 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
NFKB1 P19838 1/20 0.37
HTR2A P28223 1/20 0.37

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
SCHEMBL28166572 0.79 HRH1 (0.44) SLC6A3SLC6A2
SCHEMBL8633394 0.79 SMN1; SMN2 (0.48) SLC6A3TSHRSLC6A2SMN1; SMN2
SCHEMBL25209792 0.72
SCHEMBL5129037 0.72
SCHEMBL2483568 0.71 KDM4E (0.62) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL8230082 0.71 KDM4E (0.62) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL12435784 0.71 KDM4E (0.62) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL16174384 0.71 KDM4E (0.62) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL16172571 0.71 KDM4E (0.62) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL12581063 0.71 KDM4E (0.62) ADRA2CKDM4EADRA2ALMNAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0676409-B1 Erythromycin derivatives, their process for preparation and their application as medicaments AVENTIS PHARMA SA (FR) 2003-03-19 EP disclosed
WO-1995027720-A1 NOVEL ERYTHROMYCIN DERIVATIVES, METHOD FOR PREPARING SAME AND USE THEREOF AS DRUGS ROUSSEL UCLAF (FR) 1995-10-19 WO disclosed
EP-0676409-A1 Erythromycin derivatives, their process for preparation and their application as medicaments ROUSSEL UCLAF (FR) 1995-10-11 EP disclosed