SCHEMBL4758377

SCHEMBL4758377

CC(C=CC(=O)O)C(Sc1cccc(Br)c1)Sc1cccc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.40
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HCAR2 Q8TDS4 1/20 0.39
HSD17B3 P37058 1/20 0.36
SLC6A19 Q695T7 1/20 0.36
NPSR1 Q6W5P4 4/20 0.34
CCR6 P51684 1/20 0.34
KMT2A Q03164 1/20 0.34
MAOB P27338 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33
PMP22 Q01453 1/20 0.33

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
SCHEMBL4758386 0.84 MEN1 (0.40) MAOAMAPTALDH1A1KMT2ALMNA
SCHEMBL4758781 0.83 PKM (0.41) ALDH1A1HCAR2LMNA
SCHEMBL4757207 0.77 GABRP (0.34)
SCHEMBL29829123 0.75 MAOA (0.50) MAOAALDH1A1NPSR1HTTLMNA
SCHEMBL28798831 0.75 MAOA (0.50) MAOAALDH1A1NPSR1HTTLMNA
SCHEMBL4756681 0.72 HSD17B10 (0.45) MAPTALDH1A1HCAR2HSD17B3SLC6A19
SCHEMBL4756679 0.72 HSD17B10 (0.45) MAPTALDH1A1HCAR2HSD17B3SLC6A19
SCHEMBL1366060 0.71 EPHX1 (0.59) MAOAMAPTALDH1A1NPSR1KMT2A
SCHEMBL31275816 0.70 MAOA (0.55) MAOAMAPTALDH1A1NPSR1MAOB
SCHEMBL3093787 0.70 MAOA (0.55) MAOAMAPTALDH1A1NPSR1MAOB

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-2008073534-A1 METAL OXIDE AND SULFUR-CONTAINING COATING COMPOSITIONS, METHODS OF USE, AND ARTICLES PREPARED THEREFROM GENERAL ELECTRIC COMPANY (US) 2008-06-19 WO disclosed