SCHEMBL5322829

SCHEMBL5322829

COC(=O)c1ccc(Cn2c3ccccc3c3cc(CC4SC(=O)NC4=O)ccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.45
PPARA Q07869 2/20 0.45
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC10 Q969S8 1/20 0.44
SCARB1 Q8WTV0 1/20 0.44
PPARG P37231 4/20 0.43
CNR2 P34972 1/20 0.43
PTPN1 P18031 2/20 0.43
HDAC3 O15379 1/20 0.43
MPC2 O95563 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL4778666 0.88 FFAR1 (0.48) FFAR1PPARAALDH1A1NPSR1HDAC6
SCHEMBL13846783 0.85 HDAC1 (0.48) FFAR1PPARAALDH1A1HDAC6HDAC1
SCHEMBL4778234 0.82 KDM4E (0.53) FFAR1PPARAALDH1A1NPSR1PPARG
SCHEMBL4780233 0.81 HDAC6 (0.43) FFAR1PPARAALDH1A1NPSR1HDAC6
SCHEMBL100284 0.79 FFAR1 (0.50) FFAR1PPARAALDH1A1NPSR1PPARG
SCHEMBL212000 0.79 PPARG (0.62) FFAR1PPARAALDH1A1NPSR1PPARG
SCHEMBL1002975 0.79 HDAC6 (0.67) HDAC6HDAC1HDAC10CNR2HDAC3
SCHEMBL5324367 0.77 PPARG (0.50) FFAR1PPARAALDH1A1NPSR1PPARG
SCHEMBL4101347 0.76 HDAC6 (0.51) HDAC6HDAC1HDAC10HDAC3
SCHEMBL5438238 0.76 P2RX4 (0.66) HDAC6HDAC1HDAC10CNR2HDAC3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007119600-A1 CARBAZOLE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 WO disclosed