SCHEMBL5570201

SCHEMBL5570201

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
ALDH1A1 P00352 7/20 0.46
HPGD P15428 7/20 0.46
KDM4E B2RXH2 6/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 2/20 0.40
XBP1 P17861 1/20 0.40
MEN1 O00255 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39

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 0.92 MAPT (0.46) MAPTALDH1A1HPGDKDM4ERAB9A
SCHEMBL4780471 0.90 MAPT (0.45) MAPTALDH1A1HPGDKDM4ERAB9A
SCHEMBL5574018 0.90 MAPT (0.45) MAPTALDH1A1HPGDKDM4ERAB9A
SCHEMBL5506460 0.90 MAPT (0.45) MAPTALDH1A1HPGDKDM4ERAB9A
SCHEMBL5501828 0.88 MAPT (0.43) MAPTALDH1A1HPGDKDM4ERAB9A
SCHEMBL5571392 0.88 MAPT (0.43) MAPTALDH1A1HPGDKDM4ERAB9A
SCHEMBL5573518 0.86 MAPT (0.42) MAPTALDH1A1HPGDKDM4ERAB9A
SCHEMBL5272473 0.79 MAPT (0.46) MAPTALDH1A1HPGDKDM4ERAB9A
SCHEMBL5574038 0.78 MAPT (0.32) MAPTPOLB
SCHEMBL5265090 0.78 MAPT (0.66) MAPTALDH1A1HPGDKDM4ECYP1A2

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