SCHEMBL9715336

SCHEMBL9715336

CCCCCCCCCc1ccccc1-c1ccccc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.51
NR1H2 P55055 1/20 0.50
NR1H3 Q13133 1/20 0.50
PPARA Q07869 2/20 0.47
SOAT1 P35610 2/20 0.44
BID P55957 3/20 0.44
MCL1 Q07820 3/20 0.44
BCL2L1 Q07817 2/20 0.44
BAK1 Q16611 2/20 0.44
KAT8 Q9H7Z6 2/20 0.44
PPARG P37231 1/20 0.44
EP300 Q09472 1/20 0.44
KAT2A Q92830 1/20 0.44
KAT2B Q92831 1/20 0.44
KAT5 Q92993 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
CYSLTR2 Q9NS75 6/20 0.43
CYSLTR1 Q9Y271 6/20 0.43
GPR3 P46089 1/20 0.43

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
Hydrogen Sulfide SCHEMBL27779551 0.98 LIPG (0.50) LIPGNR1H2NR1H3PPARASOAT1
Phosphine SCHEMBL27508763 0.98 LIPG (0.50) LIPGNR1H2NR1H3PPARASOAT1
SCHEMBL11296057 0.98 LIPG (0.49) LIPGNR1H2NR1H3PPARASOAT1
Bicarbonate SCHEMBL1833789 0.94 PPARA (0.52) LIPGNR1H2NR1H3PPARASOAT1
SCHEMBL7707046 0.93 DPP4 (0.44) LIPGNR1H2NR1H3PPARASOAT1
SCHEMBL760598 0.93 LIPG (0.55) LIPGNR1H2NR1H3PPARASOAT1
SCHEMBL3726514 0.93 LIPG (0.55) LIPGNR1H2NR1H3PPARASOAT1
SCHEMBL2303757 0.93 LIPG (0.55) LIPGNR1H2NR1H3PPARASOAT1
SCHEMBL8521601 0.93 LIPG (0.55) LIPGNR1H2NR1H3PPARASOAT1
SCHEMBL761403 0.93 LIPG (0.55) LIPGNR1H2NR1H3PPARASOAT1

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
EP-0213146-B1 A METHOD FOR THE EXTENSION OF THE TEMPERATURE RANGE FOR THE SMECTIC A PHASE OF A BASE LIQUID CRYSTAL COMPOSITION MERCK PATENT GmbH (DE) 1992-03-25 EP disclosed