SCHEMBL8926062

SCHEMBL8926062

C=CCOc1c(C)c(C)c(OC(C)=O)c(C)c1CCl

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TLR4 O00206 1/20 0.32
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL8863912 0.74 KDM4E (0.45) KDM4EPOLBMEN1KMT2ALMNA
SCHEMBL8070606 0.74 IMPDH2 (0.36) KDM4EPOLBMEN1KMT2AHSD17B10
SCHEMBL8924385 0.74 MEN1 (0.34) KDM4EMEN1KMT2AHSD17B10
SCHEMBL6773536 0.73 KDM4E (0.33) KDM4EPOLB
SCHEMBL8600805 0.72 HTT (0.44) KDM4EPOLBTSHRHSD17B10
SCHEMBL8603161 0.71 KDM4E (0.42) KDM4EMEN1KMT2A
SCHEMBL9507056 0.69 LMNA (0.44) KDM4EPOLBLMNATSHRHSD17B10
SCHEMBL13134484 0.67 LMNA (0.42) KDM4EPOLBLMNATSHRHSD17B10
SCHEMBL9786758 0.66 IMPDH2 (0.36) KDM4EPOLBHSD17B10
SCHEMBL28158529 0.66 TSHR (0.37) KDM4EPOLBMEN1KMT2ALMNA

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-5624961-A Benzylaminoethoxybenzene derivatives, production thereof and use thereof JAPAN TOBACCO INC. (JP) 1997-04-29 US disclosed
EP-0693474-A1 NOVEL BENZYLAMINOETHOXYBENZENE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Toyo Boseki Kabushiki Kaisha (JP) 1996-01-24 EP disclosed