SCHEMBL17675457

SCHEMBL17675457

CCC(CC(=O)O)C(=O)OC1(C2CCCCCC2)CCCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.36
ABCB11 O95342 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CHRM3 P20309 1/20 0.36
DRD1 P21728 1/20 0.36
HRH2 P25021 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SCN1A P35498 1/20 0.36
THPO P40225 1/20 0.36

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
SCHEMBL17675500 1.00 CYP3A4 (0.36) CYP3A4ABCB11LMNACYP1A2CHRM2
SCHEMBL17675599 0.99 CYP3A4 (0.35) CYP3A4ABCB11LMNACYP1A2CHRM2
SCHEMBL14410074 0.83 CA1 (0.36) CYP3A4ABCB11LMNACYP1A2CHRM2
SCHEMBL2618681 0.80 CYP3A4 (0.40) CYP3A4ABCB11LMNACYP1A2CHRM2
SCHEMBL6367205 0.80 CYP3A4 (0.40) CYP3A4ABCB11LMNACYP1A2CHRM2
SCHEMBL6367188 0.80 CYP3A4 (0.40) CYP3A4ABCB11LMNACYP1A2CHRM2
SCHEMBL19261065 0.78 CYP3A4 (0.39) CYP3A4ABCB11LMNACYP1A2CHRM2
SCHEMBL19261057 0.78 CYP3A4 (0.39) CYP3A4ABCB11LMNACYP1A2CHRM2
SCHEMBL19261063 0.78 CYP3A4 (0.39) CYP3A4ABCB11LMNACYP1A2CHRM2
SCHEMBL6367040 0.78 CYP3A4 (0.38) CYP3A4ABCB11LMNACYP1A2CHRM2

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