SCHEMBL13894563

SCHEMBL13894563

CNCCCCOc1ccc(Cl)cc1C(C)(C)C

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.78
ALDH1A1 P00352 7/20 0.78
LMNA P02545 4/20 0.78
SMN1; SMN2 Q16637 3/20 0.78
MAPK1 P28482 3/20 0.67
HTT P42858 1/20 0.67
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
TDP1 Q9NUW8 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
GAA P10253 4/20 0.54
L3MBTL4 Q8NA19 1/20 0.48
L3MBTL3 Q96JM7 1/20 0.48
RBP4 P02753 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SLC6A4 P31645 1/20 0.42

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
SCHEMBL17501732 0.91 KDM4E (0.78) KDM4EALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL12409192 0.82 LMNA (0.62) KDM4EALDH1A1LMNASMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL2176957 0.81 LMNA (0.60) KDM4EALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL12409191 0.79 KDM4E (0.62) KDM4EALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL12409162 0.78 MAPT (0.65) KDM4EALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL1900625 0.77 KDM4E (0.67) KDM4EALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL2173939 0.77 KDM4E (0.61) KDM4EALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL8003240 0.76 MAPT (0.59) KDM4EALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL1901227 0.76 KDM4E (0.65) KDM4EALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL12401838 0.76 LMNA (0.57) KDM4EALDH1A1LMNASMN1; SMN2MAPK1

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
WO-2009042444-A2 METHODS AND COMPOUNDS FOR TREATING RETINOL-RELATED DISEASES SIRION THERAPEUTICS, INC. (US) 2009-04-02 WO disclosed