SCHEMBL1726166

SCHEMBL1726166

c1ccc(P(OC2CCCCC2)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 1/20 0.36
FABP5 Q01469 1/20 0.36
IDO1 P14902 2/20 0.35
NPSR1 Q6W5P4 3/20 0.33
CYP3A4 P08684 2/20 0.33
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
G6PC1 P35575 1/20 0.32
SLC18A3 Q16572 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL4451111 0.94 CYP3A4 (0.35) FABP7FABP5CYP3A4TDP1
SCHEMBL4457992 0.89 CYP3A4 (0.38) CYP3A4TDP1KDM4E
SCHEMBL11027299 0.86 CYP3A4 (0.32) CYP3A4TDP1
SCHEMBL2940772 0.83 FABP7 (0.36) FABP7FABP5IDO1NPSR1CYP3A4
SCHEMBL2912861 0.81 CYP3A4 (0.35) FABP7FABP5IDO1NPSR1CYP3A4
SCHEMBL5168607 0.81 CYP3A4 (0.35) FABP7FABP5IDO1NPSR1CYP3A4
SCHEMBL27826276 0.79 FABP7 (0.33) FABP7FABP5IDO1NPSR1CYP3A4
SCHEMBL4454309 0.77 CYP3A4 (0.35) FABP7FABP5CYP3A4TDP1
SCHEMBL11029955 0.77 CYP3A4 (0.35) NPSR1CYP3A4TDP1ALDH1A1SLC18A3
SCHEMBL6860443 0.73 OPRM1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299342-B1 METHOD FOR PRODUCING 3,3-DIARYLPROPYLAMINES SANOL ARZNEI SCHWARZ GMBH (DE) 2007-05-02 EP claimed
EP-1299342-A1 METHOD FOR PRODUCING 3,3-DIARYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 2003-04-09 EP claimed
EP-1202952-A1 METHOD FOR PRODUCING AMINES BY HOMOGENEOUSLY CATALYZED REDUCTIVE AMINATION OF CARBONYL COMPOUNDS Degussa AG (DE) 2002-05-08 EP claimed
WO-2002004399-A1 METHOD FOR PRODUCING 3,3-DIARYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 2002-01-17 WO claimed
WO-2001005741-A1 METHOD FOR PRODUCING AMINES BY HOMOGENEOUSLY CATALYZED REDUCTIVE AMINATION OF CARBONYL COMPOUNDS DEGUSSA AG (DE) 2001-01-25 WO claimed
EP-3144064-B1 SELECTIVE HYDROGENATION CATALYST AND METHODS OF MAKING AND USING SAME CHEVRON PHILLIPS CHEMICAL CO LP (US) 2021-07-28 EP disclosed
EP-3377596-A1 SELECTIVE HYDROGENATION USING A FLOW INDEX Chevron Phillips Chemical Company LP (US) 2018-09-26 EP disclosed
CN-108291157-A Selective hydrogenation using flow index 切弗朗菲利浦化学公司 2018-07-17 CN disclosed
US-20180148260-A1 Selective Hydrogenation Using a Flow Index CHEVRON PHILLIPS CHEMICAL COMPANY LP 2018-05-31 US disclosed
US-9914676-B2 Selective hydrogenation using a flow index CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2018-03-13 US disclosed
US-20170349507-A1 Selective Hydrogenation Using a Flow Index CHEVRON PHILLIPS CHEMICAL COMPANY LP 2017-12-07 US disclosed
EP-3218104-A1 SELECTIVE HYDROGENATION CATALYST AND METHODS OF MAKING AND USING SAME Chevron Phillips Chemical Company LP (US) 2017-09-20 EP disclosed
EP-1299342-A1 METHOD FOR PRODUCING 3,3-DIARYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 2003-04-09 EP disclosed
EP-1202952-A1 METHOD FOR PRODUCING AMINES BY HOMOGENEOUSLY CATALYZED REDUCTIVE AMINATION OF CARBONYL COMPOUNDS Degussa AG (DE) 2002-05-08 EP disclosed
WO-2002004399-A1 METHOD FOR PRODUCING 3,3-DIARYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 2002-01-17 WO disclosed
WO-2001005741-A1 METHOD FOR PRODUCING AMINES BY HOMOGENEOUSLY CATALYZED REDUCTIVE AMINATION OF CARBONYL COMPOUNDS DEGUSSA AG (DE) 2001-01-25 WO disclosed
EP-0352007-A2 Dimerisation process IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-01-24 EP disclosed
US-4129587-A ACRYLONITRILE WITH ORGANIC PHOSPHINITES OR PHOSPHONITES AS CATALYSTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-12-12 US disclosed
US-4126632-A OF ACRYLONITRILE TO 1,4-DICYANOBUTENES IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-11-21 US disclosed
US-4102915-A ACRYLONITRILE TO 1,4-DICYANOBUTENE, ORGANIC PHOSPHORUS CATALYST IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-07-25 US disclosed