SCHEMBL17675405

SCHEMBL17675405

CC(CCC(=O)OC1CCCCCC1)C(=O)OC1CCCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 2/20 0.44
CYP19A1 P11511 3/20 0.43
CYP2C19 P33261 1/20 0.42
EPHX1 P07099 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 4/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL12410103 1.00 NAAA (0.53) NAAASMN1; SMN2HTTCYP19A1CYP2C19
SCHEMBL17675658 0.98 NAAA (0.51) NAAASMN1; SMN2HTTCYP19A1CYP2C19
SCHEMBL585907 0.84 NAAA (0.57) NAAASMN1; SMN2HTTCYP19A1CYP2C19
SCHEMBL22085979 0.83 CYP19A1 (0.45) NAAASMN1; SMN2HTTCYP19A1CYP2C19
SCHEMBL4743509 0.83 NAAA (0.47) NAAASMN1; SMN2HTTCYP19A1CYP2C19
SCHEMBL8980116 0.83 CYP2C19 (0.53) NAAASMN1; SMN2HTTCYP19A1CYP2C19
SCHEMBL1999871 0.83 CYP2C19 (0.53) NAAASMN1; SMN2HTTCYP19A1CYP2C19
SCHEMBL12410090 0.83 CYP19A1 (0.40) NAAASMN1; SMN2HTTCYP19A1CYP2C19
SCHEMBL12410092 0.83 NAAA (0.49) NAAASMN1; SMN2HTTCYP19A1CYP2C19
SCHEMBL13667127 0.82 NAAA (0.56) NAAASMN1; SMN2HTTCYP19A1CYP2C19

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-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
US-20170313848-A1 PLASTICIZER COMPOSITION WHICH COMPRISES CYCLOALKYL ESTERS OF SATURATED DICARBOXYLIC ACIDS AND TEREPHTHALIC ESTERS BASF SE (DE) 2017-11-02 US 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
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
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
WO-2016055572-A1 PLASTICIZER COMPOSITION WHICH COMPRISES CYCLOALKYL ESTERS OF SATURATED DICARBOXYLIC ACIDS AND TEREPHTHALIC ESTERS BASF SE (DE) 2016-04-14 WO disclosed