SCHEMBL6013130

SCHEMBL6013130

C=CC(=C)C.N#CC=CC=Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
MAOB P27338 3/20 0.45
MCL1 Q07820 2/20 0.39
GLA P06280 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TRPA1 O75762 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL11422112 0.89 GLA (0.47) CYP3A4MAOBMCL1GLATDP1
SCHEMBL11421186 0.89 CYP3A4 (0.49) CYP3A4MAOBMCL1GLATDP1
Propene SCHEMBL28163018 0.86 MAOB (0.52) CYP3A4MAOBMCL1HDAC3HDAC4
SCHEMBL1034440 0.86 CYP3A4 (0.46) CYP3A4MAOBMCL1GLATDP1
Methacrylic Acid SCHEMBL437865 0.86 CYP3A4 (0.46) CYP3A4MAOBMCL1GLATDP1
Methacrylic Acid SCHEMBL6906597 0.86 CYP3A4 (0.46) CYP3A4MAOBMCL1GLATDP1
Acrylic Acid SCHEMBL1720420 0.85 MAOB (0.47) CYP3A4MAOBMCL1GLATDP1
Acrylic Acid SCHEMBL237879 0.85 MAOB (0.47) CYP3A4MAOBMCL1GLATDP1
Methacrylic Acid SCHEMBL863641 0.85 CYP3A4 (0.43) CYP3A4MAOBMCL1GLATDP1
Butadiene SCHEMBL29023919 0.85 CYP3A4 (0.43) CYP3A4MAOBMCL1GLATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1199607-B1 Two-components developer, and image forming apparatus and image forming method using the developer RICOH KK (JP) 2006-04-12 EP disclosed
US-6593048-B2 Magnetic toner including magnetic particles coated with carbon black; and a magnetic carrier configured to carry the magnetic toner on a surface thereof. RICOH COMPANY, LTD. (JP) 2003-07-15 US disclosed
US-20020090562-A1 Two-component developer, and image forming apparatus and image forming method using the developer RICOH COMPANY, LTD. (JP) 2002-07-11 US disclosed
EP-1199607-A2 Two-components developer, and image forming apparatus and image forming method using the developer Ricoh Company, Ltd. (JP) 2002-04-24 EP disclosed