SCHEMBL5506460

SCHEMBL5506460

CCOC(=O)c1[nH]c2ccc(Br)c(-c3ccc(OC(C)C)cc3)c2c1I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 7/20 0.39
HPGD P15428 5/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP1A2 P05177 2/20 0.39
XBP1 P17861 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 3/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37

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
SCHEMBL5512949 0.90 MAPT (0.46) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL5570201 0.90 MAPT (0.46) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL4780471 0.88 MAPT (0.45) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL5574018 0.88 MAPT (0.45) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL5571392 0.86 MAPT (0.43) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL5501828 0.86 MAPT (0.43) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL5573518 0.84 MAPT (0.42) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL5276098 0.81 MAPT (0.44) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL4776998 0.80 MAPT (0.45) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL5570203 0.77 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1841735-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
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
WO-2006077366-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed