SCHEMBL5574018

SCHEMBL5574018

CCOC(=O)c1[nH]c2ccc(Br)c(-c3ccc(OC(C)C)cc3)c2c1CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
ALDH1A1 P00352 7/20 0.39
HPGD P15428 6/20 0.39
KDM4E B2RXH2 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
GABRA1 P14867 3/20 0.38
GABRG2 P18507 3/20 0.38
GABRB3 P28472 3/20 0.38
GABRA5 P31644 3/20 0.38
GABRA3 P34903 3/20 0.38
GABRA2 P47869 3/20 0.38
NQO2 P16083 1/20 0.38
GAA P10253 2/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 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) MAPTALDH1A1HPGDKDM4ENPC1
SCHEMBL5570201 0.90 MAPT (0.46) MAPTALDH1A1HPGDKDM4ENPC1
SCHEMBL5506460 0.88 MAPT (0.45) MAPTALDH1A1HPGDKDM4ENPC1
SCHEMBL4780471 0.88 MAPT (0.45) MAPTALDH1A1HPGDKDM4ENPC1
SCHEMBL5501828 0.86 MAPT (0.43) MAPTALDH1A1HPGDKDM4ENPC1
SCHEMBL5571392 0.86 MAPT (0.43) MAPTALDH1A1HPGDKDM4ENPC1
SCHEMBL5573518 0.84 MAPT (0.42) MAPTALDH1A1HPGDKDM4ENPC1
SCHEMBL5274523 0.78 MAPT (0.42) MAPTALDH1A1HPGDKDM4ENPC1
SCHEMBL5571417 0.77 KDM4E (0.43) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL5272473 0.77 MAPT (0.46) MAPTALDH1A1HPGDKDM4ENPC1

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