SCHEMBL8657644

SCHEMBL8657644

CCCCCc1ccc2cccccc1-2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.52
HSD11B1 P28845 2/20 0.46
LIPG Q9Y5X9 1/20 0.46
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
TLR8 Q9NR97 1/20 0.45
DPP4 P27487 1/20 0.44
GPR84 Q9NQS5 1/20 0.44
SOAT1 P35610 2/20 0.43
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
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
SCHEMBL9876218 0.98 PPARA (0.51) PPARAHSD11B1LIPGNR1H2NR1H3
SCHEMBL9876236 0.98 PPARA (0.51) PPARAHSD11B1LIPGNR1H2NR1H3
SCHEMBL9825970 0.98 PPARA (0.51) PPARAHSD11B1LIPGNR1H2NR1H3
SCHEMBL9875914 0.98 PPARA (0.51) PPARAHSD11B1LIPGNR1H2NR1H3
SCHEMBL9876275 0.98 PPARA (0.51) PPARAHSD11B1LIPGNR1H2NR1H3
SCHEMBL9875682 0.98 PPARA (0.51) PPARAHSD11B1LIPGNR1H2NR1H3
SCHEMBL9876126 0.98 PPARA (0.51) PPARAHSD11B1LIPGNR1H2NR1H3
SCHEMBL9876307 0.98 PPARA (0.51) PPARAHSD11B1LIPGNR1H2NR1H3
SCHEMBL9876764 0.98 PPARA (0.51) PPARAHSD11B1LIPGNR1H2NR1H3
SCHEMBL8210914 0.98 PPARA (0.51) PPARAHSD11B1LIPGNR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1102041-A None JP disclosed
US-5843999-A 2-phenylazulene derivatives and a manufacturing method of these compounds KOTOBUKI SEIYAKU CO., LTD. (JP) 1998-12-01 US disclosed
EP-0588915-A4 AZULENIC RETINOID COMPOUNDS, COMPOSITIONS AND METHODS. UNIV HAWAII (US) 1995-05-31 EP disclosed
EP-0588915-A1 AZULENIC RETINOID COMPOUNDS, COMPOSITIONS AND METHODS UNIVERSITY OF HAWAII (US) 1994-03-30 EP disclosed
US-5235076-A Anticarcinogenic agents UNIVERSITY OF HAWAII (US) 1993-08-10 US disclosed
WO-1992021643-A1 AZULENIC RETINOID COMPOUNDS, COMPOSITIONS AND METHODS UNIVERSITY OF HAWAII (US) 1992-12-10 WO disclosed
JP-H01102041-A AZULENE DERIVATIVE AND ANTIHYPERLIPEMIC CONTAINING THE SAME AJINOMOTO CO INC 1989-04-19 JP disclosed