SCHEMBL8730650

SCHEMBL8730650

C/C=C\c1ccc(-c2ccc(-c3ccc(COCCC)cc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
NAAA Q02083 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN11 Q06124 1/20 0.33
CNR2 P34972 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
MET P08581 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 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
SCHEMBL8730656 1.00 KDM4E (0.39) KDM4EALDH1A1LMNATP53CYP3A4
SCHEMBL8732755 1.00 KDM4E (0.39) KDM4EALDH1A1LMNATP53CYP3A4
SCHEMBL8732753 1.00 KDM4E (0.39) KDM4EALDH1A1LMNATP53CYP3A4
SCHEMBL8728394 0.90 CYP3A4 (0.41) KDM4EALDH1A1LMNATP53CYP3A4
SCHEMBL8732403 0.90 CYP3A4 (0.41) KDM4EALDH1A1LMNATP53CYP3A4
SCHEMBL8732404 0.90 CYP3A4 (0.41) KDM4EALDH1A1LMNATP53CYP3A4
SCHEMBL8728393 0.90 CYP3A4 (0.41) KDM4EALDH1A1LMNATP53CYP3A4
SCHEMBL8727689 0.89 L3MBTL1 (0.41) KDM4EALDH1A1LMNATP53CYP3A4
SCHEMBL8727692 0.89 L3MBTL1 (0.41) KDM4EALDH1A1LMNATP53CYP3A4
SCHEMBL8725033 0.89 L3MBTL1 (0.41) KDM4EALDH1A1LMNATP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882695-A1 BENZYL ETHER DERIVATIVES, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 1998-12-09 EP disclosed