SCHEMBL809726

SCHEMBL809726

C=Cc1ccc(CCl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
IDO1 P14902 3/20 0.34
TTR P02766 4/20 0.34
CYP3A4 P08684 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
PNMT P11086 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
BACE1 P56817 1/20 0.30
LMNA P02545 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 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
SCHEMBL810043 0.83 ALDH1A1 (0.45) ALDH1A1IDO1TTRPNMTTAAR1
SCHEMBL15524782 0.82 ALDH1A1 (0.43) ALDH1A1IDO1TTRCYP3A4TDP1
SCHEMBL10490625 0.79 TDP1 (0.57) ALDH1A1IDO1TTRCYP3A4TDP1
SCHEMBL30595108 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL1264548 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL29467223 0.78 KDM4E (0.36) ALDH1A1TTRCYP3A4KDM4ECYP2C19
SCHEMBL14760953 0.78 XDH (0.42) ALDH1A1TTRCYP3A4TDP1MEN1
SCHEMBL15524544 0.78 ALDH1A1 (0.30) ALDH1A1
SCHEMBL809404 0.78 KDM4E (0.36) ALDH1A1TTRCYP3A4KDM4ECYP2C19
SCHEMBL15716155 0.77 ALDH1A1 (0.39) ALDH1A1IDO1TTRCYP3A4TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017116272-A1 METHOD FOR PREPARING TERTIARY AMINES COMPRISING ETHYNYLBENZYL SUBSTITUENTS PUBLIC JOINT STOCK COMPANY "SIBUR HOLDING" (RU) 2017-07-06 WO claimed
WO-2017116272-A1 METHOD FOR PREPARING TERTIARY AMINES COMPRISING ETHYNYLBENZYL SUBSTITUENTS PUBLIC JOINT STOCK COMPANY "SIBUR HOLDING" (RU) 2017-07-06 WO disclosed
US-9079989-B2 Charge control resin and manufacturing method of the same ORIENT CHEMICAL INDUSTRIES CO., LTD. (JP) 2015-07-14 US disclosed
US-20150025213-A1 CHARGE CONTROL RESIN AND MANUFACTURING METHOD OF THE SAME ORIENT CHEMICAL INDUSTRIES CO., LTD. (JP) 2015-01-22 US disclosed
US-8883946-B2 Charge control resin and manufacturing method of the same ORIENT CHEMICAL INDUSTRIES CO., LTD. (JP) 2014-11-11 US disclosed
US-20140080989-A1 CHARGE CONTROL RESIN AND MANUFACTURING METHOD OF THE SAME ORIENT CHEMICAL INDUSTRIES CO., LTD. (JP) 2014-03-20 US disclosed
WO-2012015977-A3 HIGHLY PORTABLE AND STABLE WORK STATION HERSCHLER MATTHEW B (US) 2012-05-10 WO disclosed
EP-2192645-B1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME TOKUYAMA CORP (JP) 2011-11-30 EP disclosed
US-20110250525-A1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME TOKUYAMA CORPORATION (JP) 2011-10-13 US disclosed
EP-2192645-A1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME Tokuyama Corporation (JP) 2010-06-02 EP disclosed
US-4680342-A Flame resistant alkenyl aromatic compounds and polymers containing chemically bonded phosphorus and blends with polyphenylene ether GENERAL ELECTRIC COMPANY (US) 1987-07-14 US disclosed
EP-0147724-A2 Flame resistant alkenyl aromatic compounds and polymers containing chemically bonded phosphorus and blends with polyphenylene ether GENERAL ELECTRIC COMPANY (US) 1985-07-10 EP disclosed