SCHEMBL17675406

SCHEMBL17675406

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 5/20 0.40
LMNA P02545 4/20 0.40
HSD17B10 Q99714 2/20 0.40
EPHA2 P29317 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
AKR1B10 O60218 1/20 0.40
AKR1B1 P15121 1/20 0.40
EFNA1 P20827 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
ACE P12821 2/20 0.39
REN P00797 1/20 0.39
CYP1A2 P05177 2/20 0.39
NR1H4 Q96RI1 2/20 0.38

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
SCHEMBL17675505 1.00 GPBAR1 (0.40) GPBAR1LMNAHSD17B10EPHA2MEN1
SCHEMBL17675660 0.99 GPBAR1 (0.41) GPBAR1LMNAHSD17B10EPHA2MEN1
SCHEMBL6367188 0.82 CYP3A4 (0.40) LMNAHSD17B10MEN1KMT2ATDP1
SCHEMBL6367205 0.82 CYP3A4 (0.40) LMNAHSD17B10MEN1KMT2ATDP1
SCHEMBL2618681 0.82 CYP3A4 (0.40) LMNAHSD17B10MEN1KMT2ATDP1
SCHEMBL6367040 0.81 CYP3A4 (0.38) LMNAHSD17B10MEN1KMT2ATDP1
SCHEMBL19115180 0.79 CYP3A4 (0.37) LMNAHSD17B10MEN1KMT2ATDP1
SCHEMBL26939441 0.78 CYP3A4 (0.35) LMNAHSD17B10MEN1KMT2ATDP1
SCHEMBL26939434 0.78 CYP3A4 (0.35) LMNAHSD17B10MEN1KMT2ATDP1
SCHEMBL26939440 0.78 CYP3A4 (0.35) LMNAHSD17B10MEN1KMT2ATDP1

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-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