SCHEMBL17675642

SCHEMBL17675642

O=C(O)CCCCC(=O)OC1(C2CCCCCC2)CCCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
EPHX1 P07099 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NAAA Q02083 2/20 0.36
EPHX2 P34913 2/20 0.36
TSHR P16473 2/20 0.34
CYP2C19 P33261 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
NFKB1 P19838 1/20 0.33
PMP22 Q01453 1/20 0.33
KDM5A P29375 2/20 0.33
PHF8 Q9UPP1 2/20 0.33
KDM2A Q9Y2K7 2/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM4A O75164 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.32
MAPK1 P28482 1/20 0.32
PTGDR2 Q9Y5Y4 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
SCHEMBL17675331 1.00 LMNA (0.38) LMNAEPHX1ALDH1A1NAAAEPHX2
SCHEMBL17675342 0.98 LMNA (0.36) LMNAEPHX1ALDH1A1NAAAEPHX2
SCHEMBL26939244 0.82 CYP2C19 (0.37) LMNAALDH1A1TSHRCYP2C19PMP22
SCHEMBL8979167 0.82 CYP2C19 (0.37) LMNAALDH1A1TSHRCYP2C19PMP22
SCHEMBL26939248 0.82 CYP2C19 (0.37) LMNAALDH1A1TSHRCYP2C19PMP22
SCHEMBL26939247 0.80 CYP2C19 (0.34) LMNAALDH1A1TSHRCYP2C19PMP22
SCHEMBL13061739 0.77 CHRM2 (0.40) LMNAEPHX1NAAAEPHX2TSHR
SCHEMBL11149812 0.75 LMNA (0.41) LMNAALDH1A1TSHRCYP2C19NFKB1
SCHEMBL17675505 0.74 GPBAR1 (0.40) LMNATSHRPMP22CYP1A2MAPK1
SCHEMBL17675406 0.74 GPBAR1 (0.40) LMNATSHRPMP22CYP1A2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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