SCHEMBL9735490

SCHEMBL9735490

CCc1c(OCCCCC#N)cc(O)cc1C(=O)CCCCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
CYSLTR2 Q9NS75 4/20 0.36
CYSLTR1 Q9Y271 4/20 0.36
ALB P02768 1/20 0.36
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
PPARA Q07869 1/20 0.33

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
SCHEMBL9735495 0.81 NR1H4 (0.48) TSHRLTB4RLTB4R2
SCHEMBL9417917 0.80 NR1H4 (0.47) TSHRLTB4RLTB4R2
SCHEMBL9417949 0.70 PPARA (0.42) TSHRPPARA
SCHEMBL9417802 0.70 CYSLTR2 (0.34) TSHRCYSLTR2CYSLTR1ALBLTB4R
SCHEMBL28811440 0.70 ALB (0.50) TSHRCYSLTR2CYSLTR1ALBLTB4R
SCHEMBL9417830 0.69 PPARA (0.50) TSHRPPARA
SCHEMBL9735250 0.68 CNR2 (0.41) CYSLTR2CYSLTR1
SCHEMBL9737478 0.67 NR1H4 (0.40) TSHRCYSLTR2CYSLTR1LTB4RLTB4R2
SCHEMBL9417832 0.66 NR1H4 (0.49)
SCHEMBL9417757 0.65 LTB4R (0.53) TSHRLTB4RLTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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