SCHEMBL9637077

SCHEMBL9637077

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 17/20 0.58
CYSLTR1 Q9Y271 17/20 0.58
GRM2 Q14416 1/20 0.54
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
NFKB1 P19838 1/20 0.52
PPARG P37231 1/20 0.52
BLM P54132 1/20 0.52
PPARD Q03181 1/20 0.52
PPARA Q07869 1/20 0.52
CTSD P07339 1/20 0.51

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
SCHEMBL9638144 0.98 CYSLTR2 (0.58) CYSLTR2CYSLTR1GRM2LMNACYP1A2
SCHEMBL9638148 0.94 CYSLTR2 (0.60) CYSLTR2CYSLTR1GRM2LMNACYP1A2
SCHEMBL9173547 0.86 GRM2 (0.68) CYSLTR2CYSLTR1GRM2LMNACYP1A2
SCHEMBL9178135 0.85 CYSLTR2 (0.66) CYSLTR2CYSLTR1GRM2LMNACYP1A2
SCHEMBL9638335 0.84 CYSLTR2 (0.56) CYSLTR2CYSLTR1GRM2LMNACYP1A2
SCHEMBL9172468 0.83 LMNA (0.68) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL9637390 0.83 CYSLTR2 (0.59) CYSLTR2CYSLTR1GRM2CTSD
SCHEMBL9637247 0.83 CYSLTR2 (0.61) CYSLTR2CYSLTR1GRM2CTSD
SCHEMBL9637290 0.83 CYSLTR2 (0.58) CYSLTR2CYSLTR1GRM2CTSD
SCHEMBL9637117 0.83 CYSLTR2 (0.58) CYSLTR2CYSLTR1GRM2CTSD

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-4874777-A ANTIASTHMATICS ELI LILLY AND COMPANY (US) 1989-10-17 US claimed
EP-0288190-B1 IMPROVEMENTS IN OR RELATING TO LEUKOTRIENE ANTAGONISTS ELI LILLY AND COMPANY (US) 1992-07-08 EP disclosed
US-4874777-A ANTIASTHMATICS ELI LILLY AND COMPANY (US) 1989-10-17 US disclosed
EP-0288190-A1 Improvements in or relating to leukotriene antagonists ELI LILLY AND COMPANY (US) 1988-10-26 EP disclosed