SCHEMBL17675658

SCHEMBL17675658

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 2/20 0.41
CYP19A1 P11511 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.40
EPHX1 P07099 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.36
CYP2D6 P10635 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
GPBAR1 Q8TDU6 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 0.98 NAAA (0.53) NAAASMN1; SMN2HTTCYP19A1ALDH1A1
SCHEMBL17675405 0.98 NAAA (0.53) NAAASMN1; SMN2HTTCYP19A1ALDH1A1
SCHEMBL13667127 0.84 NAAA (0.56) NAAASMN1; SMN2HTTCYP19A1ALDH1A1
SCHEMBL27086677 0.83 NAAA (0.41) NAAASMN1; SMN2HTTCYP19A1ALDH1A1
SCHEMBL10880143 0.82 NAAA (0.46) NAAASMN1; SMN2HTTCYP19A1ALDH1A1
SCHEMBL8980141 0.82 CYP2C19 (0.50) NAAASMN1; SMN2HTTCYP19A1CYP2C19
SCHEMBL22085975 0.82 CYP19A1 (0.43) NAAASMN1; SMN2HTTCYP19A1CYP2C19
SCHEMBL22086928 0.82 CYP19A1 (0.43) NAAASMN1; SMN2HTTCYP19A1CYP2C19
SCHEMBL16689485 0.82 CYP19A1 (0.43) NAAASMN1; SMN2HTTCYP19A1CYP2C19
SCHEMBL12857967 0.82 CYP19A1 (0.43) 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-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