SCHEMBL5738747

SCHEMBL5738747

CC(=O)c1cccc(-c2ccc3[nH]c(C(=O)O)c(-c4cccc(C(C)=O)c4)c3c2Cc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GPR52 Q9Y2T5 7/20 0.39
MAPT P10636 2/20 0.38
CLK1 P49759 1/20 0.38
NR3C1 P04150 1/20 0.38
WEE1 P30291 1/20 0.37
DHODH Q02127 1/20 0.37
GPR35 Q9HC97 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
SCHEMBL5738764 0.92 MAOB (0.42) MAOBKMT2AMEN1GPR52MAPT
SCHEMBL5738604 0.83 MAOB (0.40) MAOBAKR1C3AKR1C2KMT2AMEN1
SCHEMBL5739744 0.82 SCD (0.42) KMT2AMEN1DHODHGPR35
SCHEMBL5767326 0.80 CCR1 (0.39) KMT2AMEN1DHODHGPR35
SCHEMBL5737188 0.78 GPR35 (0.41) CLK1DHODHGPR35
SCHEMBL13168625 0.69 MCL1 (0.63) MAPTDHODH
SCHEMBL5736875 0.67 MAPT (0.41) KMT2AMEN1MAPT
SCHEMBL1853742 0.66 GPR52 (0.49) KMT2AMEN1GPR52
SCHEMBL2610304 0.65 MAOB (0.67) MAOBKMT2AMEN1GPR52MAPT
SCHEMBL6089789 0.65 PPARG (0.48) MAOB

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