SCHEMBL5738764

SCHEMBL5738764

COc1ccc(-c2c(C(=O)O)[nH]c3ccc(-c4cccc(C(C)=O)c4)c(Cc4cccc(C(F)(F)F)c4)c23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.42
SCD O00767 3/20 0.40
GPR52 Q9Y2T5 1/20 0.39
PPARG P37231 2/20 0.37
NR4A2 P43354 2/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
USP2 O75604 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 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
SCHEMBL5738747 0.92 MAOB (0.42) MAOBGPR52MEN1MAPTKMT2A
SCHEMBL5739744 0.92 SCD (0.42) SCDPPARGNR4A2MTNR1AMTNR1B
SCHEMBL5738604 0.88 MAOB (0.40) MAOBSCDMEN1NPC1MAPT
SCHEMBL5738353 0.83 ALDH1A1 (0.42) SCDPPARGMEN1NPC1TP53
SCHEMBL5767326 0.78 CCR1 (0.39) MEN1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL7005265 0.76 MAPT (0.44) MAOBMAPTKMT2APOLB
SCHEMBL5736875 0.75 MAPT (0.41) SCDUSP2MEN1NPC1LMNA
SCHEMBL5737188 0.75 GPR35 (0.41)
SCHEMBL7003912 0.71 LTB4R2 (0.43) SCDPPARGUSP2MEN1NPC1
SCHEMBL6092537 0.69 PPARG (0.59) MAOBPPARGEDNRA

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