SCHEMBL31099593

SCHEMBL31099593

C=Cc1ccccc1CCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.50
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
BID P55957 3/20 0.39
MCL1 Q07820 3/20 0.39
BCL2L1 Q07817 2/20 0.39
BAK1 Q16611 2/20 0.39
KAT8 Q9H7Z6 2/20 0.39
TLR8 Q9NR97 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
EP300 Q09472 1/20 0.39
KAT2A Q92830 1/20 0.39
KAT2B Q92831 1/20 0.39
KAT5 Q92993 1/20 0.39
SAE1 Q9UBE0 1/20 0.39

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
SCHEMBL714033 1.00 LIPG (0.50) LIPGTHRATHRBNR1H2NR1H3
SCHEMBL465268 0.98 LIPG (0.53) LIPGTHRATHRBNR1H2NR1H3
SCHEMBL363635 0.98 LIPG (0.53) LIPGTHRATHRBNR1H2NR1H3
SCHEMBL164609 0.98 LIPG (0.53) LIPGTHRATHRBNR1H2NR1H3
SCHEMBL8056524 0.98 LIPG (0.53) LIPGTHRATHRBNR1H2NR1H3
SCHEMBL465113 0.98 LIPG (0.53) LIPGTHRATHRBNR1H2NR1H3
SCHEMBL10625167 0.98 LIPG (0.53) LIPGTHRATHRBNR1H2NR1H3
SCHEMBL7796978 0.98 LIPG (0.53) LIPGTHRATHRBNR1H2NR1H3
SCHEMBL9488801 0.98 LIPG (0.53) LIPGTHRATHRBNR1H2NR1H3
SCHEMBL30626140 0.98 LIPG (0.53) LIPGTHRATHRBNR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118772328-A High-spinnability polyacrylonitrile spinning solution and preparation method thereof 东华大学 2024-10-15 CN claimed
CN-118772328-A High-spinnability polyacrylonitrile spinning solution and preparation method thereof 东华大学 2024-10-15 CN disclosed