SCHEMBL5265086

SCHEMBL5265086

CCOC(=O)c1cc2ccccc2n1-c1ccc(OC(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 6/20 0.49
NOD1 Q9Y239 6/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PTGES O14684 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
F10 P00742 2/20 0.44
THRB P10828 1/20 0.42
MAPT P10636 3/20 0.41
GAA P10253 1/20 0.41
TP53 P04637 1/20 0.40
PLA2G10 O15496 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL4917266 0.86 PTGES (0.44) NOD2NOD1MEN1KMT2APTGES
SCHEMBL3001458 0.86 PTGES (0.51) MEN1KMT2APTGESSMN1; SMN2KDM4E
SCHEMBL3575712 0.86 PTGES (0.64) MEN1KMT2APTGESSMN1; SMN2KDM4E
SCHEMBL4920933 0.86 PTGES (0.48) PTGESSMN1; SMN2THRBMAPTGAA
SCHEMBL3578734 0.85 PTGES (0.50) MEN1KMT2APTGESSMN1; SMN2ALDH1A1
SCHEMBL2997482 0.85 PTGES (0.50) MEN1KMT2APTGESSMN1; SMN2KDM4E
SCHEMBL8296756 0.85 ALDH1A1 (0.63) NOD2NOD1MEN1KMT2ASMN1; SMN2
SCHEMBL4920937 0.85 L3MBTL1 (0.50) MEN1KMT2APTGESSMN1; SMN2THRB
SCHEMBL3010897 0.85 SRD5A2 (0.53) MEN1KMT2APTGESSMN1; SMN2F10
SCHEMBL3581409 0.82 PTGES (0.59) NOD2NOD1KMT2APTGESKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1838669-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-03 EP disclosed
WO-2006077365-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed