SCHEMBL4613698

SCHEMBL4613698

Cc1cccc2c1C=CC2CCC1C=Cc2c(C)cccc21

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.32
HTR2A P28223 2/20 0.32
HTR2B P41595 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
ALDH1A1 P00352 2/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL5605209 0.98 HTR2C (0.31) HTR2CHTR2AHTR2BCYP1A2CYP2A6
SCHEMBL9143300 0.98 HTR2C (0.31) HTR2CHTR2AHTR2BCYP1A2CYP2A6
SCHEMBL9145268 0.98 HTR2C (0.31) HTR2CHTR2AHTR2BCYP1A2CYP2A6
SCHEMBL8770676 0.85 HTR2A (0.30) HTR2CHTR2AHTR2B
SCHEMBL9143011 0.83
SCHEMBL9143008 0.83
Lithium SCHEMBL9144851 0.83
SCHEMBL9144847 0.83
SCHEMBL1025201 0.77 ALDH1A1 (0.36) HTR2CHTR2AHTR2BCYP1A2CYP2A6
SCHEMBL1452294 0.76 KDM1A (0.31) HTR2CHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0575123-B2 Ethylene copolymer composition MITSUI CHEMICALS INC (JP) 2008-02-13 EP disclosed
US-6894120-B2 Ethylene copolymer composition MITSUI CHEMICALS, INC. (JP) 2005-05-17 US disclosed
US-20040210004-A1 Ethylene copolymer composition TAKAHASHI MAMORU (JP) 2004-10-21 US disclosed
US-6774190-B1 LOW DENSITY POLYETHYLENE OBTAINED BY HIGH-PRESSURE FREE RADICAL POLYMERIZATION; HEAT RESISTANCE, STABILITY, MOLDABILITY, AND TRANSPARENCY; ANTI-BLOCKING RESISTANCE MITSUI CHEMICALS, INC. (JP) 2004-08-10 US disclosed
US-20030092845-A1 Ethylene copolymer composition TAKAHASHI MAMORU (JP) 2003-05-15 US disclosed
US-20020165322-A1 Ethylene copolymer composition TAKAHASHI MAMORU (JP) 2002-11-07 US disclosed
US-20020143126-A1 Ethylene resin injection molded articles TAKAHASHI MAMORU (JP) 2002-10-03 US disclosed
US-6319961-B1 ETHYLENE/ALPHA-OLEFIN COPOLYMER; DENSITY IS 0.880-0.940 G/CM3; MELT FLOW RATE AT 190 DEGREES C. UNDER A 2.16 KG LOAD IS 0.1-20 G/10 MIN MITSUI CHEMICALS INC (JP) 2001-11-20 US disclosed
EP-0575123-B1 Ethylene copolymer composition MITSUI CHEMICALS INC (JP) 2000-08-30 EP disclosed
US-5674945-A Ethylene copolymer composition MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-10-07 US disclosed
EP-0587365-B1 Ethylene copolymer composition MITSUI PETROCHEMICAL IND (JP) 1997-04-23 EP disclosed
US-5594071-A HEAT RESISTANCE, MOLDABILITY MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-01-14 US disclosed
US-5474716-A Process for the preparation of bridged cyclopentadienylmagnesium compounds and use thereof for preparing metallocenes WITCO GMBH (DE) 1995-12-12 US disclosed
US-5453221-A Bridged cyclopentadienylmagnesium compounds and use thereof for preparing metallocenes WITCO GMBH (DE) 1995-09-26 US disclosed
EP-0587365-A2 Ethylene copolymer composition MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-03-16 EP disclosed
EP-0575123-A2 Ethylene copolymer composition MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-12-22 EP disclosed