SCHEMBL5338178

SCHEMBL5338178

COC(=O)C[AsH]C(=O)c1[nH]c2ccc(-c3ccc(C(F)(F)F)cn3)c(-c3ccc(OC(C)C)cc3)c2c1Cl

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.33
MCHR1 Q99705 1/20 0.33
DGAT1 O75907 4/20 0.32
LMNA P02545 1/20 0.32
PTPN5 P54829 1/20 0.32
GCK P35557 1/20 0.32
ROCK1 Q13464 1/20 0.32
MYLK4 Q86YV6 1/20 0.32
P2RX7 Q99572 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SCN9A Q15858 1/20 0.31
ACACB O00763 1/20 0.31
ITGB1 P05556 1/20 0.30
ITGA4 P13612 1/20 0.30
MAPT P10636 1/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30

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
SCHEMBL5267329 0.86 MCHR1 (0.35) PTGESMCHR1DGAT1PTPN5ROCK1
SCHEMBL5272120 0.85 MCHR1 (0.34) PTGESMCHR1DGAT1PTPN5ROCK1
SCHEMBL5571402 0.84 KDM4E (0.43) PTGESMCHR1GCKMEN1KMT2A
SCHEMBL5574807 0.80 CYP1A2 (0.34) PTGESMCHR1PTPN5ROCK1MYLK4
SCHEMBL5350625 0.79 CYP1A2 (0.34) PTGESMCHR1PTPN5MEN1KMT2A
SCHEMBL5573963 0.79 CYP1A2 (0.34) PTGESMCHR1PTPN5MEN1KMT2A
SCHEMBL5570207 0.79 GPR35 (0.36) MCHR1DGAT1PTPN5GCKROCK1
SCHEMBL5573431 0.79 MCHR1 (0.37) MCHR1DGAT1PTPN5GCKSCN9A
SCHEMBL5574783 0.78 KDM4E (0.44) MCHR1DGAT1GCKROCK1MYLK4
SCHEMBL5571405 0.77 KDM4E (0.43) MCHR1DGAT1GCKMEN1KMT2A

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-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