SCHEMBL4925546

SCHEMBL4925546

C=CC(c1ccccc1)C(CCCCCCCCCC)C(C)(C)N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
CSNK1E P49674 1/20 0.37
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
OPRL1 P41146 2/20 0.34
MMP2 P08253 4/20 0.33
NAAA Q02083 2/20 0.33
MMP3 P08254 2/20 0.33
MMP9 P14780 2/20 0.33
MMP1 P03956 1/20 0.33
MMP14 P50281 1/20 0.33
LMNA P02545 1/20 0.33
PRSS1 P07477 1/20 0.33
CTSG P08311 1/20 0.33
CTRB1 P17538 1/20 0.33
CMA1 P23946 1/20 0.33
RIPK1 Q13546 1/20 0.33
KCNH2 Q12809 2/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL5277955 1.00 HTR2A (0.38) HTR2ACSNK1EOPRM1OPRD1OPRK1
SCHEMBL4378999 1.00 HTR2A (0.38) HTR2ACSNK1EOPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL2460225 0.99 HTR2A (0.37) HTR2ACSNK1EOPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL2460431 0.99 HTR2A (0.37) HTR2ACSNK1EOPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL850166 0.99 HTR2A (0.37) HTR2ACSNK1EOPRM1OPRD1OPRK1
SCHEMBL21523309 0.88 AOC3 (0.37) HTR2ALMNARIPK1CYP2C19
SCHEMBL4373835 0.88 HTR2A (0.37) HTR2ACSNK1EOPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL21523315 0.87 AOC3 (0.36) HTR2ALMNARIPK1CYP2C19
SCHEMBL4374773 0.86 HTR2A (0.35) HTR2ACSNK1EOPRM1OPRD1OPRK1
SCHEMBL4379088 0.82 HTR2A (0.34) HTR2ACSNK1EOPRM1OPRD1OPRK1

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-1245401-B1 Ink jet recording element and printing method EASTMAN KODAK CO (US) 2007-11-28 EP claimed
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