SCHEMBL9417890

SCHEMBL9417890

CCc1cc(C(C)=O)c(O)cc1OCCCCCNC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 11/20 0.56
PDE1A P54750 4/20 0.55
PDE1B Q01064 4/20 0.55
PDE1C Q14123 4/20 0.55
LTB4R Q15722 9/20 0.53
LTB4R2 Q9NPC1 7/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 1/20 0.53
THRB P10828 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
HTR2B P41595 1/20 0.53
KMT2A Q03164 1/20 0.53
NR1H4 Q96RI1 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SIGMAR1 Q99720 1/20 0.53

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
SCHEMBL9417755 0.90 NR1H4 (0.54) PDE5APDE1APDE1BPDE1CLTB4R
SCHEMBL9417912 0.83 LTB4R (0.58) PDE5ALTB4RLTB4R2MEN1ALDH1A1
SCHEMBL9417807 0.83 LTB4R (0.56) PDE5APDE1APDE1BPDE1CLTB4R
SCHEMBL9417862 0.82 PDE5A (0.60) PDE5APDE1APDE1BPDE1CLTB4R
SCHEMBL9417752 0.81 LTB4R (0.53) PDE5APDE1APDE1BPDE1CLTB4R
SCHEMBL6802277 0.81 LTB4R (0.58) PDE5ALTB4RLTB4R2MEN1ALDH1A1
SCHEMBL9417844 0.81 LTB4R (0.54) PDE5APDE1APDE1BPDE1CLTB4R
SCHEMBL10346817 0.81 NR1H4 (0.66) LTB4RLTB4R2MEN1ALDH1A1CYP3A4
SCHEMBL23788296 0.80 LTB4R (0.60) PDE5ALTB4RLTB4R2MEN1ALDH1A1
SCHEMBL9417803 0.80 LTB4R (0.57) PDE5ALTB4RLTB4R2MEN1ALDH1A1

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 5 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