SCHEMBL4601117

SCHEMBL4601117

CC(C)=C1C2C=CC1c1ccccc12

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
GPR3 P46089 1/20 0.30

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
SCHEMBL2562384 0.76 CACNB4 (0.35) KMT2AMEN1GAA
SCHEMBL2562647 0.76 CYBB (0.32)
SCHEMBL15214740 0.76 CYBB (0.32)
SCHEMBL12855001 0.74 MEN1 (0.33) KMT2AMEN1
SCHEMBL8069320 0.74 MEN1 (0.35) KMT2AMEN1GAAMAOAMAOB
SCHEMBL30353880 0.74 MEN1 (0.35) KMT2AMEN1GAAMAOAMAOB
SCHEMBL10098744 0.72
SCHEMBL437174 0.70 TDP1 (0.41) POLBKMT2AMEN1GAAMAOA
SCHEMBL12854945 0.65 MEN1 (0.46) POLBKMT2AMEN1GAA
SCHEMBL997888 0.65 MEN1 (0.39) POLBKMT2AMEN1MAOA

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
US-6797745-B1 Hot melt inks containing styrene or terpene polymers XEROX CORPORATION 2004-09-28 US claimed
EP-1963251-A2 PROCESS FOR THE PREPARATION OF AMINES Syngeta Participations AG (CH) 2008-09-03 EP disclosed
WO-2007068417-A2 PROCESS FOR THE PREPARATION OF AMINES SYNGENTA PARTICIPATIONS AG (CH) 2007-06-21 WO disclosed
US-6797745-B1 Hot melt inks containing styrene or terpene polymers XEROX CORPORATION 2004-09-28 US disclosed