SCHEMBL8217416

SCHEMBL8217416

O=C(O)CCCCOc1c(Cl)c(Cl)c(O)c(Cl)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.41
ALDH1A1 P00352 1/20 0.41
THRA P10827 2/20 0.40
THRB P10828 2/20 0.40
ALB P02768 1/20 0.40
MCL1 Q07820 1/20 0.40
CYSLTR2 Q9NS75 3/20 0.40
CYSLTR1 Q9Y271 3/20 0.40
PYGL P06737 1/20 0.40
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
PMP22 Q01453 1/20 0.38
PDK2 Q15119 1/20 0.36
LTB4R Q15722 1/20 0.36
TBXA2R P21731 1/20 0.36

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
SCHEMBL29000462 0.95 MCL1 (0.41) THRATHRBMCL1CYSLTR2CYSLTR1
SCHEMBL11573013 0.77 MCL1 (0.52) THRATHRBMCL1LMNATSHR
SCHEMBL9780778 0.75 KMT2A (0.62) PPARAPYGLLTB4RTBXA2R
SCHEMBL9780857 0.74 KMT2A (0.61) PPARAALDH1A1ALBPYGLLTB4R
SCHEMBL6026423 0.72 PYGL (0.41) PPARATHRATHRBALBCYSLTR2
SCHEMBL1969777 0.72 LMNA (0.44) LMNATSHRNFKB1PMP22
SCHEMBL6575170 0.71 PYGL (0.51) ALDH1A1THRATHRBALBPYGL
Stearic Acid SCHEMBL6231972 0.70 GPR84 (0.65) PPARAALDH1A1LMNATSHR
Dodecanoate SCHEMBL433865 0.70 GPR84 (0.65) PPARAALDH1A1LMNATSHR
Palmitic Acid SCHEMBL6235882 0.70 GPR84 (0.65) PPARAALDH1A1LMNATSHR

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-6130097-A DETECTION OF PARTICLES IN SOLUTION; MIXING PARTICLES IN SOLVENT, TRANSFER OF SOLVENT AND PARTICLES THROUGH FILTER, TRANSFER OF SOLUTION THROUGH MULTICOMPARTMENT MATRIX, DETECT SOLID-PHASE SYNTHESIS PRODUCT BY BIO/CHEMICAL ANALYSIS DRAGER SICHERHEITSTECHNIK GMBH (DE) 2000-10-10 US disclosed