SCHEMBL42402

SCHEMBL42402

CC=CCCC(C)=CCC

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.39
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 2/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
UGT1A1 P22309 1/20 0.38
SQLE Q14534 7/20 0.37
FNTA P49354 2/20 0.35
FNTB P49356 2/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL42401 1.00 KMT2A (0.42) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL2524503 0.95 KMT2A (0.50) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL7070996 0.86 SQLE (0.36) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL16253820 0.80 KMT2A (0.62) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL12747551 0.80 KMT2A (0.62) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL28727156 0.80 KMT2A (0.62) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL28714370 0.80 KMT2A (0.42) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL9242078 0.78
SCHEMBL25854208 0.78
SCHEMBL9242080 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58164790-A None JP disclosed
CN-103025786-B Method for producing fluid, colourless polyoctenamer by ring-opening, metathetic polymerization of cyclooctene EVONIK DEGUSSA GMBH 2015-07-08 CN disclosed
US-20130172635-A1 METHOD FOR PRODUCING FLUID, COLOURLESS POLYOCTENAMER BY RING-OPENING, METATHETIC POLYMERIZATION OF CYCLOOCTENE EVONIK DEGUSSA GMBH (DE) 2013-07-04 US disclosed
EP-2585514-A1 METHOD FOR PRODUCING FLUID, COLOURLESS POLYOCTENAMER BY RING-OPENING, METATHETIC POLYMERIZATION OF CYCLOOCTENE Evonik Degussa GmbH (DE) 2013-05-01 EP disclosed
WO-2011160916-A1 METHOD FOR PRODUCING FLUID, COLOURLESS POLYOCTENAMER BY RING-OPENING, METATHETIC POLYMERIZATION OF CYCLOOCTENE EVONIK DEGUSSA GMBH (DE) 2011-12-29 WO disclosed
CN-1046529-A Carbostyril derivative OTSUKA PHARMA CO LTD (JP) 1990-10-31 CN disclosed
JP-S58164790-A CORROSION INHIBITOR FOR METAL KURITA WATER IND LTD 1983-09-29 JP disclosed