SCHEMBL2187828

SCHEMBL2187828

C#CC(CC)(CC)NC(=O)c1sccc1OC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
KMT2A Q03164 7/20 0.38
ALDH1A1 P00352 4/20 0.38
GAA P10253 2/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 5/20 0.35
TRPA1 O75762 1/20 0.35
CYP1A2 P05177 1/20 0.34
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RECQL P46063 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
SCHEMBL2188506 0.82 L3MBTL1 (0.45) KDM4EL3MBTL1KMT2AALDH1A1GAA
SCHEMBL2187822 0.81 KDM4E (0.61) KDM4EL3MBTL1KMT2AALDH1A1GAA
SCHEMBL2185749 0.78 ALDH1A1 (0.60) KDM4EL3MBTL1KMT2AALDH1A1GAA
SCHEMBL4613771 0.78 KMT2A (0.47) KDM4EL3MBTL1KMT2AALDH1A1GAA
SCHEMBL2187940 0.76 KMT2A (0.45) L3MBTL1KMT2AALDH1A1GAAHPGD
SCHEMBL2188707 0.73 ALDH1A1 (0.42) KDM4EL3MBTL1KMT2AALDH1A1GAA
SCHEMBL2188417 0.73 ALDH1A1 (0.43) KDM4EL3MBTL1KMT2AALDH1A1GAA
SCHEMBL4100554 0.72 KMT2A (0.56) KDM4EL3MBTL1KMT2AALDH1A1GAA
SCHEMBL2188574 0.71 INPPL1 (0.45) KDM4EL3MBTL1KMT2AALDH1A1GAA
SCHEMBL4101815 0.68 MEN1 (0.58) KDM4EL3MBTL1KMT2AALDH1A1GAA

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-1578741-B1 AROMATIC COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2011-07-13 EP claimed