SCHEMBL2188506

SCHEMBL2188506

CCC(C)(C)NC(=O)c1sccc1OC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ALDH1A1 P00352 5/20 0.44
HPGD P15428 3/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GLA P06280 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 8/20 0.42
RAB9A P51151 1/20 0.39
TP53 P04637 1/20 0.38
MEN1 O00255 6/20 0.38
CYP1A2 P05177 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL2185749 0.85 ALDH1A1 (0.60) L3MBTL1ALDH1A1HPGDGAAKDM4E
SCHEMBL2188707 0.85 ALDH1A1 (0.42) L3MBTL1NPSR1ALDH1A1HPGDGAA
SCHEMBL2187828 0.82 KDM4E (0.39) L3MBTL1ALDH1A1HPGDGAAKDM4E
SCHEMBL2187940 0.80 KMT2A (0.45) L3MBTL1ALDH1A1HPGDGAAKMT2A
SCHEMBL2188417 0.80 ALDH1A1 (0.43) L3MBTL1ALDH1A1HPGDGAAKDM4E
SCHEMBL2187525 0.78 HPGD (0.72) L3MBTL1NPSR1ALDH1A1HPGDGAA
SCHEMBL2188574 0.75 INPPL1 (0.45) L3MBTL1ALDH1A1HPGDGAAKDM4E
SCHEMBL2186717 0.71 MAPT (0.52) L3MBTL1NPSR1ALDH1A1HPGDGAA
SCHEMBL2188985 0.69 KMT2A (0.39) L3MBTL1ALDH1A1HPGDKMT2ARAB9A
SCHEMBL2186838 0.68 MEN1 (0.63) L3MBTL1NPSR1ALDH1A1GAAKDM4E

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