SCHEMBL9417829

SCHEMBL9417829

CCc1cc(C(=O)CCCC(=O)O)c(O)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.54
HPGD P15428 2/20 0.46
RECQL P46063 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PDE4B Q07343 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PAK1 Q13153 1/20 0.43
HTT P42858 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
NR1H4 Q96RI1 2/20 0.42
LTB4R Q15722 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
SCHEMBL9417868 0.87 PDE4B (0.45) PDE4BKMT2AHTTCYP3A4
SCHEMBL8824020 0.86 HMGCR (0.54) HMGCRHPGDRECQLHSD17B10ALDH1A1
SCHEMBL14930208 0.83 HMGCR (0.54) HMGCRHPGDRECQLHSD17B10ALDH1A1
SCHEMBL9417915 0.83 HSD17B10 (0.58) HPGDRECQLHSD17B10ALDH1A1ALOX15
SCHEMBL9417893 0.81 HSD17B10 (0.56) HPGDRECQLHSD17B10ALDH1A1ALOX15
SCHEMBL31336022 0.81 HMGCR (0.54) HMGCRHPGDRECQLHSD17B10ALDH1A1
SCHEMBL5190414 0.80 HMGCR (0.67) HMGCRHPGDRECQLHSD17B10ALDH1A1
SCHEMBL9417917 0.79 NR1H4 (0.47) HPGDHSD17B10ALDH1A1ALOX15TSHR
SCHEMBL28167915 0.78 STING1 (0.54) HMGCRHPGDRECQLHSD17B10ALDH1A1
SCHEMBL9735495 0.78 NR1H4 (0.48) HPGDHSD17B10ALDH1A1ALOX15TSHR

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