SCHEMBL11298524

SCHEMBL11298524

CNCCC/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.46
PTGS2 P35354 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
NR5A2 O00482 1/20 0.40
NR5A1 Q13285 1/20 0.40
HIF1A Q16665 5/20 0.38
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
HTT P42858 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL11298525 1.00 ALOX5 (0.46) ALOX5PTGS2SMN1; SMN2KDM4EMEN1
SCHEMBL13321375 0.89 ALOX5 (0.49) ALOX5PTGS2SMN1; SMN2KDM4EMEN1
SCHEMBL2221201 0.89 ALOX5 (0.49) ALOX5PTGS2SMN1; SMN2KDM4EMEN1
SCHEMBL29370004 0.89 ALOX5 (0.49) ALOX5PTGS2SMN1; SMN2KDM4EMEN1
SCHEMBL2221207 0.89 ALOX5 (0.49) ALOX5PTGS2SMN1; SMN2KDM4EMEN1
SCHEMBL29535850 0.86 ALOX5 (0.51) ALOX5PTGS2SMN1; SMN2KDM4EMEN1
SCHEMBL3998711 0.86 ALOX5 (0.51) ALOX5PTGS2SMN1; SMN2KDM4EMEN1
SCHEMBL29785796 0.86 ALOX5 (0.51) ALOX5PTGS2SMN1; SMN2KDM4EMEN1
SCHEMBL3998710 0.86 ALOX5 (0.51) ALOX5PTGS2SMN1; SMN2KDM4EMEN1
SCHEMBL23644507 0.85 ALOX5 (0.46) ALOX5PTGS2SMN1; SMN2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2665755-A1 METAL COMPLEXES OF SALAN-TYPE LIGANDS AND USES THEREOF AS CATALYSTS FOR POLYMERIZATION OF ALPHA-OLEFINS Ramot at Tel Aviv University, Ltd. (IL) 2013-11-27 EP disclosed
US-20130310529-A1 METAL COMPLEXES OF SALAN-TYPE LIGANDS AND USES THEREOF AS CATALYSTS FOR POLYMERIZATION OF ALPHA-OLEFINS RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2013-11-21 US disclosed
WO-2012098521-A1 METAL COMPLEXES OF SALAN-TYPE LIGANDS AND USES THEREOF AS CATALYSTS FOR POLYMERIZATION OF ALPHA-OLEFINS RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2012-07-26 WO disclosed