SCHEMBL3530396

SCHEMBL3530396

C=CCOCCl.C=CCc1ccccc1OCCl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 5/20 0.46
HTR1A P08908 2/20 0.44
ADRA2C P18825 2/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
NISCH Q9Y2I1 1/20 0.44
ADRB2 P07550 4/20 0.43
ADRB1 P08588 4/20 0.43
LMNA P02545 2/20 0.43
ADRB3 P13945 2/20 0.43
SLC6A2 P23975 1/20 0.43
BDKRB2 P30411 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
HTR2B P41595 1/20 0.43
KCNH2 Q12809 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL1702565 0.90 KDM4E (0.53) ALDH1A1KDM4EHTR1AADRA2CADRA2A
SCHEMBL5085750 0.81 ALDH1A1 (0.54) ALDH1A1KDM4EHTR1AADRA2CADRA2A
SCHEMBL31429100 0.79 KDM4E (0.54) ALDH1A1KDM4EHTR1AADRA2CADRA2A
SCHEMBL6376325 0.77 KDM4E (0.57) ALDH1A1KDM4EHTR1AADRA2CADRA2A
SCHEMBL12227223 0.76 KDM4E (0.64) ALDH1A1KDM4EHTR1AADRA2CADRA2A
SCHEMBL9788862 0.76 KDM4E (0.55) ALDH1A1KDM4EHTR1AADRA2CADRA2A
SCHEMBL9625908 0.76 KDM4E (0.69) ALDH1A1KDM4EHTR1AADRA2CADRA2A
SCHEMBL11883345 0.75 KDM4E (0.59) ALDH1A1KDM4EHTR1AADRA2CADRA2A
SCHEMBL11122118 0.75 KDM4E (0.59) ALDH1A1KDM4EHTR1AADRA2CADRA2A
SCHEMBL9066767 0.75 ALDH1A1 (0.65) ALDH1A1KDM4EHTR1AADRA2CADRB2

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-2157032-B1 TRANSPORT CASE FOR ELECTRONIC COMPONENT SAKASE CHEMICAL CO LTD (JP) 2012-07-25 EP disclosed
EP-2157032-A1 TRANSPORT CASE FOR ELECTRONIC COMPONENT Sakase Chemical Co., Ltd. (JP) 2010-02-24 EP disclosed