SCHEMBL5738604

SCHEMBL5738604

CCOC(=O)c1[nH]c2ccc(-c3ccc(OC)cc3)c(Cc3cccc(C(F)(F)F)c3)c2c1-c1cccc(C(C)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.40
MAPT P10636 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.38
PTGES O14684 2/20 0.38
POLB P06746 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
SCD O00767 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
SCHEMBL5738353 0.92 ALDH1A1 (0.42) MAPTMEN1KMT2APTGESPOLB
SCHEMBL5738764 0.88 MAOB (0.42) MAOBMAPTMEN1KMT2APOLB
SCHEMBL5736875 0.85 MAPT (0.41) MAPTMEN1KMT2AGAAPTGES
SCHEMBL5739744 0.83 SCD (0.42) MEN1KMT2APOLBKDM4ESCD
SCHEMBL7003912 0.80 LTB4R2 (0.43) MAPTMEN1KMT2APTGESPOLB
SCHEMBL5767326 0.73 CCR1 (0.39) MEN1KMT2AGAAHPGD
SCHEMBL6092341 0.72 PPARG (0.54) MAOBKMT2A
SCHEMBL7005935 0.71 ALOX5 (0.45) MAPTMEN1KMT2AGAAPTGES
SCHEMBL2810771 0.69 HTR6 (0.56) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL7002412 0.69 ALDH1A1 (0.39) MAPTMEN1KMT2AGAAPTGES

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-1646624-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2006-04-19 EP disclosed
WO-2005005415-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2005-01-20 WO disclosed