SCHEMBL6130072

SCHEMBL6130072

CC=C(Cc1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
AKR1B1 P15121 1/20 0.44
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
PDPK1 O15530 1/20 0.39

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
SCHEMBL29028265 0.80 CES2 (0.43) CES2CES1AKR1B1MAPTL3MBTL1
SCHEMBL7737076 0.80 CES2 (0.43) CES2CES1AKR1B1MAPTL3MBTL1
SCHEMBL4823768 0.80 CES2 (0.43) CES2CES1AKR1B1MAPTL3MBTL1
SCHEMBL2146350 0.80 CES2 (0.43) CES2CES1AKR1B1HDAC3HDAC1
SCHEMBL15239917 0.79 RECQL (0.39) CES2CES1AKR1B1MAPTMEN1
SCHEMBL3851045 0.78 CYP3A4 (0.53) CES2CES1AKR1B1
SCHEMBL7737201 0.77 CES2 (0.40) CES2CES1AKR1B1HDAC3HDAC1
SCHEMBL11404804 0.77 CES2 (0.45) CES2CES1AKR1B1MAPTL3MBTL1
SCHEMBL7737204 0.77 CES2 (0.40) CES2CES1AKR1B1HDAC3HDAC1
SCHEMBL13782274 0.77 CES2 (0.40) CES2CES1AKR1B1HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105272962-A Synthetic method of 1,3-dithiane structure-containing polysubstituted olefin derivatives UNIV LANZHOU 2016-01-27 CN disclosed
CN-104478640-A Method of preparing polysubstituted olefin compound with fluorinated alkene UNIV EAST CHINA SCIENCE & TECH 2015-04-01 CN disclosed
EP-1289519-A4 METHODS OF TREATING ANDROGEN DEFICIENCY IN MEN USING SELECTIVE ANTIESTROGENS FISCH HARRY (US) 2005-04-27 EP disclosed
EP-1509484-A2 PROCESS FOR PREPARING VINYLAROMATIC COMPOUNDS DSM IP Assets B.V. (NL) 2005-03-02 EP disclosed
WO-2003102202-A2 PROCESS FOR PREPARING VINYLAROMATIC COMPOUNDS DSM IP ASSETS B.V. (NL) 2003-12-11 WO disclosed
WO-2003043630-A1 SOLID PHARMACEUTICAL COMPOSITION COMPRISING 4-CYANO-TRIFLUORO-3-(4-FLUOROPHENYL SULPHONYL)-2-HYDROXY-2-METHYLPROPIONO- M TOLUIDIDE, PVP, AN ANTI-OESTROGEN AND/OR AN AROMATASE INHIBITOR ASTRAZENECA UK LIMITED (GB) 2003-05-30 WO disclosed
EP-1289519-A1 METHODS OF TREATING ANDROGEN DEFICIENCY IN MEN USING SELECTIVE ANTIESTROGENS Fisch, Harry (US) 2003-03-12 EP disclosed
WO-2001091744-A1 METHODS OF TREATING ANDROGEN DEFICIENCY IN MEN USING SELECTIVE ANTIESTROGENS FISCH HARRY (US) 2001-12-06 WO disclosed
EP-0174378-B1 ELECTRICAL-INSULATING OIL AND OIL-FILLED ELECTRICAL APPLIANCES NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-07-12 EP disclosed
EP-0103868-B1 IMPROVED ELECTRICAL INSULATING OIL AND OIL-FILLED ELECTRICAL APPLIANCES NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1987-04-08 EP disclosed
EP-0174378-A1 Electrical-insulating oil and oil-filled electrical appliances NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1986-03-19 EP disclosed
US-4506107-A CAPACITORS, CABLES, TRANSFORMERS, PLASTICS NIPPON PETROCHEMICAL COMPANY, LIMITED (JP) 1985-03-19 US disclosed
US-4493943-A MIXTURES OF DIARYLALKANES AND AROMATIC MONO-OR DI-OLEFINS NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1985-01-15 US disclosed
EP-0103868-A2 Improved electrical insulating oil and oil-filled electrical appliances NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1984-03-28 EP disclosed