SCHEMBL28501684

SCHEMBL28501684

CCCCCCCCCCCCCCCc1ccccc1C(C)C

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 9/20 0.55
CYSLTR1 Q9Y271 9/20 0.55
LIPG Q9Y5X9 1/20 0.55
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
SOAT1 P35610 1/20 0.44
BID P55957 3/20 0.42
MCL1 Q07820 3/20 0.42
BCL2L1 Q07817 2/20 0.42
BAK1 Q16611 2/20 0.42
KAT8 Q9H7Z6 2/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
EP300 Q09472 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
KAT5 Q92993 1/20 0.42
SAE1 Q9UBE0 1/20 0.42

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
SCHEMBL9136145 1.00 CYSLTR2 (0.55) CYSLTR2CYSLTR1LIPGNR1H2NR1H3
SCHEMBL17439641 1.00 CYSLTR2 (0.55) CYSLTR2CYSLTR1LIPGNR1H2NR1H3
SCHEMBL3267051 1.00 CYSLTR2 (0.55) CYSLTR2CYSLTR1LIPGNR1H2NR1H3
SCHEMBL28775644 1.00 CYSLTR2 (0.55) CYSLTR2CYSLTR1LIPGNR1H2NR1H3
SCHEMBL9135788 1.00 CYSLTR2 (0.55) CYSLTR2CYSLTR1LIPGNR1H2NR1H3
SCHEMBL7059581 1.00 CYSLTR2 (0.55) CYSLTR2CYSLTR1LIPGNR1H2NR1H3
Hydrogen Sulfide SCHEMBL28224981 0.98 CYSLTR2 (0.54) CYSLTR2CYSLTR1LIPGNR1H2NR1H3
SCHEMBL8091006 0.98 CYSLTR2 (0.53) CYSLTR2CYSLTR1LIPGNR1H2NR1H3
Hydrogen Peroxide SCHEMBL11209358 0.96 CYSLTR2 (0.60) CYSLTR2CYSLTR1LIPGBIDMCL1
SCHEMBL30436245 0.92 CYSLTR2 (0.46) CYSLTR2CYSLTR1LIPGSOAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108165247-B Viscosity-reducing corrosion inhibitor for thickened oil recovery and gathering and preparation method thereof 中国石油化工股份有限公司 2020-12-11 CN claimed