Propane

Propane

SCHEMBL28045232

CCC.Oc1ccc(-c2ccccc2)cc1.Oc1ccc(-c2ccccc2)cc1

nearest known ligand 0.79

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.79
BCL2L1 Q07817 1/20 0.79
ESR1 P03372 6/20 0.58
ESR2 Q92731 4/20 0.58
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
HSD17B1 P14061 1/20 0.52
HSD17B2 P37059 1/20 0.52
MAPT P10636 2/20 0.52
RAB9A P51151 2/20 0.52
LMNA P02545 1/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
GLA P06280 1/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA9 Q16790 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA14 Q9ULX7 1/20 0.50

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
Propane SCHEMBL10535789 1.00 MMP3 (0.79) MMP3BCL2L1ESR1ESR2MEN1
Butane SCHEMBL2769411 0.92 MMP3 (0.75) MMP3BCL2L1ESR1ESR2MEN1
Biphenyl SCHEMBL27496105 0.92 MMP3 (0.65) MMP3BCL2L1ESR1ESR2MEN1
Ethane SCHEMBL28086897 0.89 MMP3 (0.88) MMP3BCL2L1ESR1ESR2MEN1
SCHEMBL7865208 0.89 MMP3 (1.00) MMP3BCL2L1ESR1ESR2MEN1
SCHEMBL38273 0.89 MMP3 (1.00) MMP3BCL2L1ESR1ESR2MEN1
SCHEMBL7929157 0.89 MMP3 (1.00) MMP3BCL2L1ESR1ESR2MEN1
Propane SCHEMBL11439349 0.89 ESR1 (0.73) MMP3BCL2L1ESR1ESR2MEN1
Biphenyl SCHEMBL9955402 0.89 MMP3 (1.00) MMP3BCL2L1ESR1ESR2MEN1
SCHEMBL4236248 0.89 MMP3 (1.00) MMP3BCL2L1ESR1ESR2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111542569-A Medical kit capable of being repeatedly used 帝人株式会社 2020-08-14 CN disclosed
CN-104159999-B The urea replaced or carbamate for improve mineral with the purposes of service performance of non-water and wastewater industry liquid, particularly fuel or the lubricant of synthesis BASF SE (DE) 2016-03-23 CN disclosed
CN-105377970-A Wavelength dispersion adjusting agent, resin composition, and method for adjusting wavelength dispersion of resin OSAKA GAS CHEMICALS CO LTD 2016-03-02 CN disclosed
CN-105308122-A Resin composition containing fluorine compound, molded body, wavelength dispersion adjustment agent, and method for adjusting wavelength dispersion of resin OSAKA GAS CHEMICALS CO LTD 2016-02-03 CN disclosed
CN-104159999-A Use of substituted ureas or urethanes in order to improve the use properties of mineral and synthetic nonaqueous industrial liquids, in particular fuels or lubricants BASF SE 2014-11-19 CN disclosed