SCHEMBL11528830

SCHEMBL11528830

CCCCCCCCCc1cccc(OP(=O)(S)Sc2cccc(CCCCCCCCC)c2CCCCCCCCC)c1CCCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.41
PPARG P37231 2/20 0.39
PTGS2 P35354 7/20 0.39
ALOX5 P09917 1/20 0.39
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
BID P55957 3/20 0.35
MCL1 Q07820 3/20 0.35
BCL2L1 Q07817 2/20 0.35
BAK1 Q16611 2/20 0.35
KAT8 Q9H7Z6 2/20 0.35
EP300 Q09472 1/20 0.35
KAT2A Q92830 1/20 0.35
KAT2B Q92831 1/20 0.35
KAT5 Q92993 1/20 0.35
SAE1 Q9UBE0 1/20 0.35

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
SCHEMBL11532650 1.00 PPARA (0.41) PPARAPPARGPTGS2ALOX5LTB4R
SCHEMBL11531872 1.00 PPARA (0.41) PPARAPPARGPTGS2ALOX5LTB4R
SCHEMBL2042000 0.89 PPARA (0.43) PPARAPPARGPTGS2ALOX5LTB4R
SCHEMBL11529563 0.89 PPARA (0.43) PPARAPPARGPTGS2ALOX5LTB4R
SCHEMBL9169769 0.88 PPARA (0.42) PPARAPPARGPTGS2ALOX5LTB4R
SCHEMBL8375499 0.84 THRA (0.45) PPARAPPARGPTGS2ALOX5THRA
SCHEMBL11098797 0.84 PTGS2 (0.38) PPARAPPARGPTGS2ALOX5LTB4R
SCHEMBL159096 0.83 THRA (0.44) PPARAPPARGPTGS2ALOX5THRA
SCHEMBL11087732 0.83 THRA (0.44) PPARAPPARGPTGS2ALOX5THRA
SCHEMBL8011394 0.83 THRA (0.44) PPARAPPARGPTGS2ALOX5THRA

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
US-4136042-A EXTREME PRESSURE LUBRICANTS GULF RESEARCH & DEVELOPMENT COMPANY (US) 1979-01-23 US claimed