SCHEMBL8533810

SCHEMBL8533810

[Na]CCCCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 6/20 0.56
▸ HTR2A P28223 6/20 0.56
▸ SIGMAR1 Q99720 4/20 0.52
▸ CYP19A1 P11511 3/20 0.46
▸ TBXAS1 P24557 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.41
▸ GRIN1 Q05586 2/20 0.41
▸ GRIN2A Q12879 2/20 0.41

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
SCHEMBL9073997 0.85 HRH1 (0.71) HRH1HTR2ASIGMAR1CYP19A1TAAR1
SCHEMBL17529779 0.77 HRH1 (0.56) HRH1HTR2ASIGMAR1CYP19A1TBXAS1
SCHEMBL6529206 0.77 HRH1 (0.56) HRH1HTR2ASIGMAR1CYP19A1TBXAS1
SCHEMBL2836377 0.77 HRH1 (0.83) HRH1HTR2ASIGMAR1CYP19A1TBXAS1
SCHEMBL2849801 0.77 HRH1 (0.83) HRH1HTR2ASIGMAR1CYP19A1TBXAS1
SCHEMBL23581510 0.77 HRH1 (0.56) HRH1HTR2ASIGMAR1CYP19A1TBXAS1
SCHEMBL9401973 0.77 SIGMAR1 (0.62) HRH1HTR2ASIGMAR1CYP19A1
SCHEMBL3389109 0.77 HRH1 (0.56) HRH1HTR2ASIGMAR1CYP19A1TBXAS1
SCHEMBL1204774 0.77 HRH1 (0.83) HRH1HTR2ASIGMAR1CYP19A1TBXAS1
SCHEMBL8095418 0.77 SIGMAR1 (0.62) HRH1HTR2ASIGMAR1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5723559-A POLYMETHYL METHACRYLATE ELF ATOCHEM S.A. (FR) 1998-03-03 — — US disclosed
US-5629393-A METAL-HYDROCARBON, METAL ALCOHOLATE ELF ATOCHEM S.A. (FR) 1997-05-13 — — US disclosed
EP-0402219-B1 Process and anionic polymerisation catalyst for acrylic monomers ATOCHEM ELF SA (FR) 1995-04-12 — — EP disclosed
WO-1990015084-A1 INITIATING PROCESS AND SYSTEM FOR THE ANIONIC POLYMERISATION OF ACRYLIC MONOMERS ATOCHEM (FR) 1990-12-13 — — WO disclosed
EP-0402219-A1 Process and anionic polymerisation catalyst for acrylic monomers ELF ATOCHEM S.A. (FR) 1990-12-12 — — EP disclosed
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