SCHEMBL1921591

SCHEMBL1921591

CCC(C1C=Cc2ccccc21)C1C=Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.38
HTR6 P50406 1/20 0.38
SIGMAR1 Q99720 6/20 0.36
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CHRM2 P08172 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
NFKB1 P19838 1/20 0.35
CHRM3 P20309 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL9860034 0.98 HTR2A (0.37) HTR2AHTR6SIGMAR1KDM4ELMNA
SCHEMBL6673086 0.85 HTR2A (0.36) HTR2AHTR6SIGMAR1KDM4ELMNA
SCHEMBL30084485 0.83 SIGMAR1 (0.38) HTR2AHTR6SIGMAR1KDM4ELMNA
SCHEMBL5034593 0.83 SIGMAR1 (0.38) HTR2AHTR6SIGMAR1KDM4ELMNA
SCHEMBL6675368 0.82 HTR2A (0.35) HTR2AHTR6SIGMAR1KDM4ELMNA
Hydrochloric Acid SCHEMBL4476663 0.82 HTR6 (0.32) HTR2AHTR6SIGMAR1TACR1
SCHEMBL6055362 0.81 HTR2A (0.36) HTR2AHTR6SIGMAR1KDM4ELMNA
SCHEMBL4466071 0.81 HTR2A (0.36) HTR2AHTR6SIGMAR1KDM4ELMNA
SCHEMBL11623231 0.81 HTR2A (0.36) HTR2AHTR6SIGMAR1KDM4ELMNA
SCHEMBL30530453 0.81 HTR2A (0.36) HTR2AHTR6SIGMAR1KDM4ELMNA

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5670681-A Process for preparing a carbon-bridged biscyclopentadiene compound HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-23 US claimed
EP-0462588-A2 Olefin block copolymer and method of producing same MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1991-12-27 EP claimed
EP-2328906-A1 PREPARATION OF ANSA METALLOCENE COMPOUNDS Basell Polyolefine GmbH (DE) 2011-06-08 EP disclosed
WO-2010022878-A1 PREPARATION OF ANSA METALLOCENE COMPOUNDS BASELL POLYOLEFINE GMBH (DE) 2010-03-04 WO disclosed
EP-1500659-B1 Selective, catalytic, thermal functionalization of secondary or aromatic C-H bonds in cyclic hydrocarbons SHELL INT RESEARCH (NL) 2008-09-24 EP disclosed
EP-1268490-B1 SELECTIVE, CATALYTIC, THERMAL FUNCTIONALIZATION OF SECONDARY OR AROMATIC C-H BONDS IN CYCLIC HYDROCARBONS SHELL INT RESEARCH (NL) 2005-01-26 EP disclosed
EP-1500659-A1 Selective, catalytic, thermal functionalization of secondary or aromatic C-H bonds in cyclic hydrocarbons SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2005-01-26 EP disclosed
EP-0963990-B1 PROCESS FOR PRODUCING CYCLOPENTADIENYL METAL SALTS AND PROCESS FOR PRODUCING CYCLOPENTADIENE DERIVATIVES BY UTILIZING THE SAME SUMITOMO CHEMICAL CO (JP) 2004-10-06 EP disclosed
EP-0969010-B1 Transition metal compound and catalyst containing the same for polymerization of olefins JAPAN POLYOLEFINS CO LTD (JP) 2004-09-22 EP disclosed
EP-0694563-B1 Olefin polymerization catalyst and process for preparing polyolefins NIPPON MITSUBISHI OIL CORP (JP) 2002-10-30 EP disclosed
US-6451937-B1 BY THERMALLY REACTING A FUNCTIONALIZING REAGENT AND THE HYDROCARBON IN THE PRESENCE OF A TRANSITION METAL COORDINATION CATALYST SHELL OIL COMPANY 2002-09-17 US disclosed
EP-0714920-A1 Catalyst for polymerization of olefins NIPPON OIL CO. LTD. (JP) 1996-06-05 EP disclosed
EP-0694563-A1 Olefin polymerization catalyst and process for preparing polyolefins NIPPON OIL COMPANY, LIMITED (JP) 1996-01-31 EP disclosed
EP-0679662-A1 Catalyst component for the polymerization of olefins NIPPON OIL CO. LTD. (JP) 1995-11-02 EP disclosed
EP-0669346-A1 Solid catalyst components for olefin polymerization and use thereof NIPPON OIL CO. LTD. (JP) 1995-08-30 EP disclosed
EP-0587440-A2 Catalyst component for the polymerisation of olefins and process for preparing olefin polymers using same NIPPON OIL COMPANY, LIMITED (JP) 1994-03-16 EP disclosed
EP-0365974-B1 Process for preparing an ethylene-propylene copolymer HOECHST AG (DE) 1993-12-29 EP disclosed
EP-0569249-A2 Ethylene/alpha-olefin copolymers NIPPON OIL COMPANY, LIMITED (JP) 1993-11-10 EP disclosed
EP-0462588-A2 Olefin block copolymer and method of producing same MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1991-12-27 EP disclosed
EP-0365974-A2 Process for preparing an ethylene-propylene copolymer HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-02 EP disclosed