SCHEMBL5574009

SCHEMBL5574009

CCOC(=O)c1[nH]c2ccc(-c3ccc(C(C)(C)C)cc3)c(-c3ccc(OC(C)C)cc3)c2c1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
ALOX15 P16050 1/20 0.39
NR1H4 Q96RI1 1/20 0.36
TP53 P04637 2/20 0.36
THRB P10828 3/20 0.35
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP1A2 P05177 2/20 0.34
GAA P10253 2/20 0.34
XBP1 P17861 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 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
SCHEMBL5540873 0.84 KDM4E (0.42) MAPTALOX15ALDH1A1KDM4ENPC1
SCHEMBL5501828 0.83 MAPT (0.43) MAPTALOX15TP53ALDH1A1KDM4E
SCHEMBL4022950 0.78 ALDH1A1 (0.51) MAPTNR1H4TP53ALDH1A1KDM4E
SCHEMBL5271016 0.76 ALDH1A1 (0.49) MAPTNR1H4TP53ALDH1A1KDM4E
SCHEMBL5504444 0.75 KDM4E (0.40) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL5573437 0.73 KDM4E (0.38) MAPTKDM4ENPC1RAB9APOLB
SCHEMBL5574783 0.73 KDM4E (0.44) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL5517754 0.72 POLB (0.36) MAPTNR1H4TP53THRBALDH1A1
SCHEMBL5571405 0.72 KDM4E (0.43) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL5570203 0.72 KDM4E (0.43) MAPTALDH1A1KDM4EHPGDNPC1

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-1841736-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077367-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed