SCHEMBL9417834

SCHEMBL9417834

CCCc1cc(C(=O)CO)ccc1OCCCCc1nnn[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.39
THRA P10827 8/20 0.38
PLA2G2D Q9UNK4 1/20 0.38
PPARG P37231 3/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX5 P09917 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
KMT2A Q03164 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
THRB P10828 7/20 0.35

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
SCHEMBL3033073 0.99 LTB4R (0.41) LTB4RTHRAPLA2G2DPPARGPPARD
SCHEMBL9417814 0.94 THRA (0.37) LTB4RTHRAPLA2G2DTHRBNR1H4
SCHEMBL9417891 0.87 MAPK1 (0.40) MEN1LMNAKMT2ATHRB
SCHEMBL10522356 0.81 LTB4R (0.56) LTB4RTHRAPLA2G2DTHRB
SCHEMBL6935194 0.80 LTB4R (0.46) LTB4RTHRAPLA2G2DPPARGPPARD
SCHEMBL9387348 0.79 LTB4R (0.48) LTB4RTHRAPLA2G2DTHRB
SCHEMBL2422646 0.78 LTB4R (0.45) LTB4RTHRAPLA2G2DPPARGPPARD
Hydrochloric Acid SCHEMBL9417918 0.78 LTB4R (0.45) LTB4RTHRAPLA2G2DPPARGPPARD
SCHEMBL6136991 0.77 LTB4R (0.44) LTB4RTHRAPLA2G2DPPARGPPARD
SCHEMBL8777238 0.77 LTB4R (0.44) LTB4RTHRAPLA2G2DPPARGPPARD

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