SCHEMBL840149

SCHEMBL840149

C#CC(=O)c1cccc(OCCCCCCOc2cccc(C(=O)C#C)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 8/20 0.55
KMT2A Q03164 1/20 0.54
SMPD1 P17405 3/20 0.54
PLA2G4B P0C869 1/20 0.50
MAOB P27338 1/20 0.49
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
HRH3 Q9Y5N1 1/20 0.47
NR4A2 P43354 1/20 0.46

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
SCHEMBL12045722 0.93 KMT2A (0.53) PRSS1KMT2ASMPD1MAOBNR4A2
SCHEMBL12045720 0.88 L3MBTL1 (0.52) PRSS1KMT2APLA2G4BMAOB
SCHEMBL12045718 0.87 NR4A2 (0.45) PRSS1KMT2ASMPD1MAOBNR4A2
SCHEMBL839231 0.83 NR4A2 (0.60) SMPD1MAOBNR4A2
SCHEMBL12045750 0.81 NR4A2 (0.59) SMPD1MAOBNR4A2
SCHEMBL12045711 0.81 NR4A2 (0.59) SMPD1MAOBNR4A2
SCHEMBL4509654 0.81 KMT2A (0.77) PRSS1KMT2ASMPD1PLA2G4BNR4A2
SCHEMBL841269 0.80 GAA (0.59) PRSS1PLA2G4BMAOBHRH3
SCHEMBL9803295 0.79 KMT2A (0.80) PRSS1KMT2APLA2G4BNR4A2
SCHEMBL11422303 0.78 PRSS1 (0.60) PRSS1KMT2ASMPD1PLA2G4BTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143465-B2 Soluble branched triaroylbenzene-based polymer and its synthetic method THE HONG KONG UNIVERSITY OF SCIENCE & TECHNOLOGY (CN) 2012-03-27 US disclosed
US-7772358-B2 Polytriazoles constructed by 1,3-dipolar cycloaddition THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2010-08-10 US disclosed
US-20080103273-A1 Polytriazoles constructed by 1, 3-dipolar cycloaddition THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2008-05-01 US disclosed
US-20080103273-A1 Polytriazoles constructed by 1, 3-dipolar cycloaddition THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2008-05-01 US disclosed
US-20060247410-A1 Soluble branched triaroylbenzene-based polymer and its synthetic method HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY, THE (HK) 2006-11-02 US disclosed