SCHEMBL4934847

SCHEMBL4934847

CCCCCCCCCCCCCCN(CC)c1cccc(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TP53 P04637 2/20 0.44
CRHR1 P34998 4/20 0.40
KCNH2 Q12809 5/20 0.38
MAPK1 P28482 1/20 0.37
CNR2 P34972 4/20 0.36
ELANE P08246 1/20 0.36
CNR1 P21554 1/20 0.35
EZH2 Q15910 1/20 0.35
NPC1 O15118 1/20 0.34
GPX4 P36969 1/20 0.34
RAB9A P51151 1/20 0.34
PAX8 Q06710 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
SCHEMBL4927051 1.00 ALDH1A1 (0.44) ALDH1A1TP53CRHR1KCNH2MAPK1
SCHEMBL4932135 1.00 ALDH1A1 (0.44) ALDH1A1TP53CRHR1KCNH2MAPK1
SCHEMBL4927610 1.00 ALDH1A1 (0.44) ALDH1A1TP53CRHR1KCNH2MAPK1
SCHEMBL28279552 0.93 ALDH1A1 (0.47) ALDH1A1TP53CRHR1KCNH2MAPK1
SCHEMBL28278211 0.93 ALDH1A1 (0.47) ALDH1A1TP53CRHR1KCNH2MAPK1
SCHEMBL25227940 0.86 ALDH1A1 (0.54) ALDH1A1TP53CRHR1KCNH2CNR2
SCHEMBL25277231 0.86 ALDH1A1 (0.54) ALDH1A1TP53CRHR1KCNH2CNR2
SCHEMBL25276716 0.86 ALDH1A1 (0.54) ALDH1A1TP53CRHR1KCNH2CNR2
SCHEMBL25230838 0.86 ALDH1A1 (0.54) ALDH1A1TP53CRHR1KCNH2CNR2
SCHEMBL25278104 0.86 ALDH1A1 (0.54) ALDH1A1TP53CRHR1KCNH2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080067709-A1 Expandable Polystyrene Composition and Process for Making Same INEOS EUROPE LIMITED (GB) 2008-03-20 US disclosed
EP-1765923-A1 EXPANDABLE POLYSTYRENE COMPOSITION AND PROCESS FOR MAKING SAME INNOVENE EUROPE LIMITED (GB) 2007-03-28 EP disclosed
WO-2006005901-A1 EXPANDABLE POLYSTYRENE COMPOSITION AND PROCESS FOR MAKING SAME INEOS EUROPE LIMITED (GB) 2006-01-19 WO disclosed