SCHEMBL10691639

SCHEMBL10691639

CCCc1c(OCCCC(=O)O)ccc(C(C)=O)c1OCCCOc1c(C(C)=O)cc(C(C)=O)c(O)c1CCC

nearest known ligand 0.86

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 18/20 0.86
CYSLTR1 Q9Y271 18/20 0.86
LMNA P02545 1/20 0.58
CYP1A2 P05177 1/20 0.58
MAPT P10636 1/20 0.58
CYP2C9 P11712 1/20 0.58
NFKB1 P19838 1/20 0.58
PPARG P37231 1/20 0.58
BLM P54132 1/20 0.58
PPARD Q03181 1/20 0.58
PPARA Q07869 1/20 0.58
GRM2 Q14416 1/20 0.53

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
SCHEMBL10688316 0.92 CYSLTR2 (1.00) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL9622269 0.92 CYSLTR2 (1.00) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL10687984 0.92 CYSLTR2 (0.79) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL9623054 0.90 CYSLTR2 (0.98) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL9622368 0.90 CYSLTR2 (0.96) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL10684992 0.89 CYSLTR2 (1.00) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL10690432 0.89 CYSLTR2 (0.80) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL9622375 0.89 CYSLTR2 (0.98) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL10687686 0.89 CYSLTR2 (1.00) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL10684894 0.89 CYSLTR2 (0.80) CYSLTR2CYSLTR1LMNACYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4782176-A ANTIALLERGY HOFFMANN-LA ROCHE INC. (US) 1988-11-01 US disclosed
US-4507498-A Phenoxycarboxylic acids HOFFMANN-LA ROCHE INC. (US) 1985-03-26 US disclosed