SCHEMBL9417784

SCHEMBL9417784

C=CCc1cc(C(C)=O)c(O)cc1OCCCCCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.51
PDE5A O76074 7/20 0.49
PDE1A P54750 2/20 0.48
PDE1B Q01064 2/20 0.48
PDE1C Q14123 2/20 0.48
PTPN1 P18031 2/20 0.47
LTB4R Q15722 5/20 0.47
CYSLTR2 Q9NS75 3/20 0.45
CYSLTR1 Q9Y271 3/20 0.45
LTB4R2 Q9NPC1 4/20 0.44
NR1H4 Q96RI1 3/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HTR2B P41595 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL9417968 0.99 PPARA (0.52) PPARAPDE5APDE1APDE1BPDE1C
SCHEMBL9417860 0.91 LTB4R (0.45) PPARAPDE5APDE1APDE1BPDE1C
SCHEMBL9417767 0.90 PDE1A (0.48) PPARAPDE5APDE1APDE1BPDE1C
SCHEMBL9417786 0.89 LTB4R (0.44) PPARAPDE5APDE1APDE1BPDE1C
SCHEMBL9417950 0.88 NR1H4 (0.52) LTB4RLTB4R2NR1H4MEN1ALDH1A1
SCHEMBL9417817 0.88 NR1H4 (0.52) LTB4RLTB4R2NR1H4MEN1ALDH1A1
SCHEMBL9417812 0.88 NR1H4 (0.52) LTB4RLTB4R2NR1H4MEN1ALDH1A1
SCHEMBL9417862 0.87 PDE5A (0.60) PDE5APDE1APDE1BPDE1CLTB4R
SCHEMBL9417805 0.87 LTB4R (0.42) PPARAPDE5APDE1APDE1BPDE1C
SCHEMBL9417800 0.87 PDE5A (0.52) PDE5APDE1APDE1BPDE1CLTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5294613-A Benzene derivatives of p-substituted ether and acid or ester ELI LILLY AND COMPANY (US) 1994-03-15 US disclosed
US-5098613-A Aromatic ethers for treatment of mammals ELI LILLY AND COMPANY (US) 1992-03-24 US disclosed
US-4945099-A LEUKOTRIENE ANTAGONIST ELI LILLY AND COMPANY (US) 1990-07-31 US disclosed
EP-0276065-B1 ANTI-INFLAMMATORY AGENTS ELI LILLY AND COMPANY (US) 1990-06-06 EP disclosed
EP-0276065-A1 Anti-inflammatory agents ELI LILLY AND COMPANY (US) 1988-07-27 EP disclosed
EP-0276138-A2 Chromatographic supports for separation of oligonucleotides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-07-27 EP disclosed