SCHEMBL4653202

SCHEMBL4653202

C1=Cc2ccccc2[C]1CCCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SIGMAR1 Q99720 3/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 2/20 0.39
IDO1 P14902 1/20 0.38
HDAC3 O15379 1/20 0.38
MAPK1 P28482 1/20 0.38
ADRA1A P35348 1/20 0.38
HDAC4 P56524 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC1 Q13547 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL22982256 0.88 MAOA (0.40) HTR2ATDP1L3MBTL1MAOAMAOB
SCHEMBL219213 0.78 SETD7 (0.42) HTR2AIDO1ADRA1ASLC6A3SMN1; SMN2
SCHEMBL216992 0.78 CALM1 (0.46) HTR2AMAOAMAOBIDO1MAPK1
SCHEMBL28818349 0.77 SETD7 (0.41) HTR2AIDO1ADRA1ASLC6A3SMN1; SMN2
SCHEMBL3685991 0.77 SETD7 (0.44) HTR2ATDP1L3MBTL1SIGMAR1IDO1
SCHEMBL28573966 0.77 SETD7 (0.41) HTR2AIDO1ADRA1ASLC6A3SMN1; SMN2
SCHEMBL19643790 0.77 SETD7 (0.41) HTR2AIDO1ADRA1ASLC6A3SMN1; SMN2
SCHEMBL216967 0.76 SETD7 (0.47) HTR2ASLC6A3
SCHEMBL3684068 0.76 SETD7 (0.47) HTR2ASLC6A3
SCHEMBL218345 0.76 SETD7 (0.47) HTR2ASLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1989238-A1 DUAL METALLOCENE CATALYSTS FOR POLYMERIZATION OF BIMODAL POLYMERS Chevron Phillips Chemical Company LP (US) 2008-11-12 EP disclosed
WO-2007101053-A1 DUAL METALLOCENE CATALYSTS FOR POLYMERIZATION OF BIMODAL POLYMERS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2007-09-07 WO disclosed