SCHEMBL9178135

SCHEMBL9178135

CCCc1c(COc2ccc(CCC(=O)O)cc2)ccc(C(C)=O)c1O

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 16/20 0.66
CYSLTR1 Q9Y271 16/20 0.66
CTSD P07339 1/20 0.56
LMNA P02545 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CYP1A2 P05177 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53
NFKB1 P19838 1/20 0.53
PPARG P37231 1/20 0.53
BLM P54132 1/20 0.53
PPARD Q03181 1/20 0.53
PPARA Q07869 1/20 0.53
GRM2 Q14416 1/20 0.50

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
SCHEMBL9180015 0.90 CYSLTR2 (0.64) CYSLTR2CYSLTR1CTSDLMNACYP1A2
SCHEMBL9281892 0.88 CYSLTR2 (0.62) CYSLTR2CYSLTR1CTSD
SCHEMBL9172468 0.87 LMNA (0.68) CYSLTR2CYSLTR1CTSDLMNACYP1A2
SCHEMBL9638148 0.87 CYSLTR2 (0.60) CYSLTR2CYSLTR1CTSDLMNACYP1A2
SCHEMBL9638144 0.85 CYSLTR2 (0.58) CYSLTR2CYSLTR1CTSDLMNACYP1A2
SCHEMBL9637077 0.85 CYSLTR2 (0.58) CYSLTR2CYSLTR1CTSDLMNACYP1A2
SCHEMBL9173547 0.85 GRM2 (0.68) CYSLTR2CYSLTR1CTSDLMNACYP1A2
SCHEMBL9177294 0.84 CYSLTR2 (0.63) CYSLTR2CYSLTR1CTSD
SCHEMBL9177346 0.83 CYSLTR2 (0.63) CYSLTR2CYSLTR1CTSD
SCHEMBL9176107 0.82 CYSLTR2 (0.61) CYSLTR2CYSLTR1CTSD

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