SCHEMBL17675598

SCHEMBL17675598

CCC(CC(=O)OC1CCCC1)C(=O)OC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.47
CYP2C19 P33261 1/20 0.44
EPHX1 P07099 1/20 0.42
HTT P42858 2/20 0.41
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
ADRA1A P35348 1/20 0.39
CHRNA4 P43681 1/20 0.39
HTR3A P46098 1/20 0.39
KCNH2 Q12809 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CYP19A1 P11511 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CACNA1B Q00975 5/20 0.36
CYP2D6 P10635 1/20 0.36
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL17675498 0.98 NAAA (0.49) NAAACYP2C19EPHX1HTTCHRM2
SCHEMBL17675456 0.98 NAAA (0.49) NAAACYP2C19EPHX1HTTCHRM2
SCHEMBL2857853 0.89 CYP2D6 (0.46) NAAACYP2C19EPHX1HTTCHRM2
SCHEMBL5147212 0.87 CYP2C19 (0.51) NAAACYP2C19EPHX1HTTCHRM2
SCHEMBL14875486 0.87 EPHX1 (0.48) NAAACYP2C19EPHX1HTTCHRM2
SCHEMBL5827222 0.85 EPHX1 (0.52) NAAACYP2C19EPHX1HTTCHRM2
SCHEMBL11038301 0.85 NAAA (0.49) NAAACYP2C19EPHX1HTTL3MBTL1
SCHEMBL17376888 0.85 L3MBTL1 (0.50) NAAACYP2C19EPHX1HTTCHRM2
SCHEMBL2855758 0.84 CYP2D6 (0.43) NAAACHRM2CHRM1CHRM3ADRA1A
SCHEMBL12410098 0.81 NAAA (0.45) NAAACYP2C19EPHX1HTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10975222-B2 Organic material ALTRO LIMITED (GB) 2021-04-13 US disclosed
US-20190194420-A1 Improvements in or relating to organic material ALTRO LIMITED (GB) 2019-06-27 US disclosed
EP-3502175-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC MATERIAL Altro Limited (GB) 2019-06-26 EP disclosed
US-10329402-B2 Plasticizer composition which comprises cycloalkyl esters of saturated dicarboxylic acids and 1,2-cyclohexanedicarboxylic esters BASF SE (DE) 2019-06-25 US disclosed
US-10287415-B2 Plasticizer composition which comprises cycloalkyl esters of saturated dicarboxylic acids and terephthalic esters BASF SE (DE) 2019-05-14 US disclosed
EP-3204448-B1 PLASTICIZER COMPOSITION WHICH COMPRISES CYCLOALKYL ESTERS OF SATURATED DICARBOXYLIC ACIDS AND 1,2-CYCLOHEXANEDICARBOXYLIC ESTERS BASF SE (DE) 2018-10-03 EP disclosed
EP-3204447-B1 PLASTICIZER COMPOSITION WHICH COMPRISES CYCLOALKYL ESTERS OF SATURATED DICARBOXYLIC ACIDS AND TEREPHTHALIC ESTERS BASF SE (DE) 2018-07-18 EP disclosed
US-20170313848-A1 PLASTICIZER COMPOSITION WHICH COMPRISES CYCLOALKYL ESTERS OF SATURATED DICARBOXYLIC ACIDS AND TEREPHTHALIC ESTERS BASF SE (DE) 2017-11-02 US disclosed
US-20170313850-A1 PLASTICIZER COMPOSITION WHICH COMPRISES CYCLOALKYL ESTERS OF SATURATED DICARBOXYLIC ACIDS AND 1,2-CYCLOHEXANEDICARBOXYLIC ESTERS BASF SE (DE) 2017-11-02 US disclosed
EP-3204448-A1 PLASTICIZER COMPOSITION WHICH COMPRISES CYCLOALKYL ESTERS OF SATURATED DICARBOXYLIC ACIDS AND 1,2-CYCLOHEXANEDICARBOXYLIC ESTERS BASF SE (DE) 2017-08-16 EP disclosed
EP-3204447-A1 PLASTICIZER COMPOSITION WHICH COMPRISES CYCLOALKYL ESTERS OF SATURATED DICARBOXYLIC ACIDS AND TEREPHTHALIC ESTERS BASF SE (DE) 2017-08-16 EP disclosed
WO-2016055572-A1 PLASTICIZER COMPOSITION WHICH COMPRISES CYCLOALKYL ESTERS OF SATURATED DICARBOXYLIC ACIDS AND TEREPHTHALIC ESTERS BASF SE (DE) 2016-04-14 WO disclosed
WO-2016055573-A1 PLASTICIZER COMPOSITION WHICH COMPRISES CYCLOALKYL ESTERS OF SATURATED DICARBOXYLIC ACIDS AND 1,2-CYCLOHEXANEDICARBOXYLIC ESTERS BASF SE (DE) 2016-04-14 WO disclosed