SCHEMBL9176148

SCHEMBL9176148

CCCc1c(/C=C/c2ccc(C#N)cc2)ccc(C(C)=O)c1O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 8/20 0.46
CYSLTR1 Q9Y271 8/20 0.46
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
PPARD Q03181 2/20 0.39
GRM2 Q14416 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
NFKB1 P19838 1/20 0.39
BLM P54132 1/20 0.39
P4HB P07237 2/20 0.39
CTSD P07339 2/20 0.38
NR1H3 Q13133 1/20 0.37
HDAC2 Q92769 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL9176150 1.00 CYSLTR2 (0.46) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL11018220 0.80 PPARG (0.49) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL11021045 0.80 PPARG (0.49) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL11019932 0.80 PPARG (0.49) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL9174150 0.75 CYSLTR2 (0.48) CYSLTR2CYSLTR1GRM2LMNA
SCHEMBL9174143 0.75 CYSLTR2 (0.48) CYSLTR2CYSLTR1GRM2LMNA
SCHEMBL29030433 0.75 PIM1 (0.46)
SCHEMBL9175712 0.74 CYSLTR2 (0.64) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL6242750 0.73 GRM2 (0.69) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL9173414 0.73 CYSLTR2 (0.60) CYSLTR2CYSLTR1PPARGPPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5393768-A Treating hypersensitivity reactions such as asthma ELI LILLY AND COMPANY (US) 1995-02-28 US disclosed
US-5105017-A Antiallergens ELI LILLY AND COMPANY (US) 1992-04-14 US disclosed
EP-0132366-A2 Leukotriene antagonists ELI LILLY AND COMPANY (US) 1985-01-30 EP disclosed