SCHEMBL7069818

SCHEMBL7069818

Cc1ccc2c(c1)c(C)cc[n+]2CCCCCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
POLB P06746 2/20 0.54
LMNA P02545 2/20 0.51
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 2/20 0.37
HTT P42858 1/20 0.37
EGFR P00533 1/20 0.37
NPC1 O15118 1/20 0.36

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
Bromide SCHEMBL3916333 0.99 KDM4E (0.56) KDM4EPOLBLMNAALDH1A1TSHR
SCHEMBL6262227 0.84 KDM4E (0.49) KDM4EPOLBLMNAALDH1A1TSHR
SCHEMBL1105809 0.84 KDM4E (0.77) KDM4EPOLBRECQLKMT2AMAPT
Iodide SCHEMBL2057098 0.83 KDM4E (0.75) KDM4EPOLBLMNAALDH1A1RECQL
Bromide SCHEMBL3915979 0.83 KDM4E (0.80) KDM4EPOLBLMNAALDH1A1RECQL
SCHEMBL15419914 0.82 KDM4E (0.79) KDM4EPOLBALDH1A1TSHRRECQL
SCHEMBL16663887 0.78 KDM4E (0.81) KDM4EPOLBLMNAALDH1A1TSHR
SCHEMBL7069821 0.75 KDM4E (0.52) KDM4EPOLBALDH1A1TSHRRECQL
Bromide SCHEMBL3916334 0.74 POLB (0.54) KDM4EPOLBALDH1A1RECQLMEN1
Hydrochloric Acid SCHEMBL11599422 0.72 KDM4E (0.56) KDM4EPOLBLMNAALDH1A1RECQL

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-1318177-A2 Compound, in particular marker-dye, based on polymethines Dyomics GmbH (DE) 2003-06-11 EP disclosed