Propane

Propane

SCHEMBL28078056

C=C(C)C(=O)OCC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C.CCC

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.47
TSHR P16473 4/20 0.46
ALDH1A1 P00352 6/20 0.40
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPK1 P28482 2/20 0.31
HIF1A Q16665 2/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL28149678 0.98 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL23636 0.98 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL28120744 0.96 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL5884750 0.96 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL10391726 0.96 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
Alcohol SCHEMBL9220453 0.94 THRB (0.46) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL8850718 0.94 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL28412602 0.94 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL2396556 0.92 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9007734 0.92 THRB (0.58) THRBTSHRALDH1A1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108250840-A Printing ink composition, ink group and ink-jet recording apparatus 精工爱普生株式会社 2018-07-06 CN disclosed
CN-107236366-A Ink jet recording method and ink group 精工爱普生株式会社 2017-10-10 CN disclosed
CN-104943377-B Ink jet recording method and ink set 精工爱普生株式会社 2017-06-20 CN disclosed
CN-103238234-B Secondary cell perforated membrane slurry, secondary cell perforated membrane, electrode for secondary battery, secondary battery separator and secondary cell 日本瑞翁株式会社 2016-08-10 CN disclosed