SCHEMBL5739744

SCHEMBL5739744

COc1ccc(-c2ccc3[nH]c(C(=O)O)c(-c4ccc(OC)cc4)c3c2Cc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
PPARG P37231 3/20 0.41
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
EDNRA P25101 1/20 0.40
NR4A2 P43354 1/20 0.39
MCL1 Q07820 1/20 0.39
DHODH Q02127 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GPR35 Q9HC97 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
IDH2 P48735 1/20 0.38

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
SCHEMBL5738764 0.92 MAOB (0.42) SCDPPARGUSP2POLBEDNRA
SCHEMBL5738353 0.89 ALDH1A1 (0.42) SCDPPARGPOLBKDM4EMEN1
SCHEMBL5767326 0.85 CCR1 (0.39) DHODHMEN1KMT2AGPR35
SCHEMBL5738604 0.83 MAOB (0.40) SCDPOLBKDM4EMEN1KMT2A
SCHEMBL5736875 0.82 MAPT (0.41) SCDUSP2POLBEDNRAKDM4E
SCHEMBL5737188 0.80 GPR35 (0.41) DHODHGPR35
SCHEMBL7005265 0.78 MAPT (0.44) POLBMCL1KDM4EKMT2AGPR35
SCHEMBL7003912 0.76 LTB4R2 (0.43) SCDPPARGUSP2POLBEDNRA
Trifluoroacetic Acid SCHEMBL7397464 0.71 PTGDR2 (0.37) PTGDR2DHODHKDM4EMEN1KMT2A
SCHEMBL7003961 0.70 SCD (0.41) SCDPPARGUSP2POLBEDNRA

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