SCHEMBL5269908

SCHEMBL5269908

CCOC(=O)c1[nH]c2ccc(B(O)O)c(-c3ccc(OC(C)C)cc3)c2c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
HPGD P15428 6/20 0.44
CYP1A2 P05177 2/20 0.44
XBP1 P17861 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 6/20 0.44
KDM4E B2RXH2 6/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CSF1R P07333 1/20 0.38
GAA P10253 3/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36

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
SCHEMBL5272473 0.89 MAPT (0.46) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL4780471 0.87 MAPT (0.45) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL4776998 0.87 MAPT (0.45) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL5270207 0.81 CYP1A2 (0.43) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL5573980 0.81 MAPT (0.40) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL5266914 0.80 MAPT (0.41) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL4777292 0.79 MAPT (0.43) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL4839135 0.77 MAPT (0.39) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL5571402 0.77 KDM4E (0.43) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL5574023 0.77 MAPT (0.43) ALDH1A1HPGDCYP1A2XBP1CYP2C19

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-1844013-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-17 EP disclosed
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
WO-2006077364-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed