SCHEMBL10401682

SCHEMBL10401682

CC(Oc1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1)C(=O)O

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 9/20 0.81
CYSLTR2 Q9NS75 8/20 0.81
ABCC1 P33527 2/20 0.51
MEN1 O00255 1/20 0.51
ABCC3 O15438 1/20 0.51
ABCC4 O15439 1/20 0.51
ABCC5 O15440 1/20 0.51
SLCO2B1 O94956 1/20 0.51
ABCB11 O95342 1/20 0.51
KMT2A Q03164 1/20 0.51
ABCC2 Q92887 1/20 0.51
SLCO1B3 Q9NPD5 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.51
SLCO1B1 Q9Y6L6 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
SCHEMBL10401689 1.00 CYSLTR1 (0.81) CYSLTR1CYSLTR2ABCC1MEN1ABCC3
SCHEMBL10402879 0.90 CYSLTR1 (0.79) CYSLTR1CYSLTR2ABCC1MEN1ABCC3
SCHEMBL10402946 0.90 CYSLTR1 (0.79) CYSLTR1CYSLTR2ABCC1MEN1ABCC3
SCHEMBL10402289 0.87 CYSLTR2 (0.62) CYSLTR1CYSLTR2MEN1KMT2A
SCHEMBL10402290 0.87 CYSLTR2 (0.62) CYSLTR1CYSLTR2MEN1KMT2A
SCHEMBL9756948 0.83 CYSLTR1 (0.69) CYSLTR1CYSLTR2ABCC1MEN1ABCC3
SCHEMBL9756949 0.83 CYSLTR1 (0.69) CYSLTR1CYSLTR2ABCC1MEN1ABCC3
SCHEMBL10401656 0.83 CYSLTR1 (0.68) CYSLTR1CYSLTR2ABCC1MEN1ABCC3
SCHEMBL10402240 0.83 CYSLTR1 (0.68) CYSLTR1CYSLTR2ABCC1MEN1ABCC3
SCHEMBL10402476 0.83 CYSLTR1 (0.57) CYSLTR1CYSLTR2ABCC1MEN1ABCC3

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-4962203-A ANTIASTHMATIC, ANTIALLERGENIC, ANTIINFLAMMATORY AND CYTOPROTECTIVE AGENTS MERCK FROST CANADA, INC. (CA) 1990-10-09 US disclosed
EP-0206751-A2 2-Substituted quinolines, their preparation and use MERCK FROSST CANADA INC. (CA) 1986-12-30 EP disclosed