SCHEMBL9690686

SCHEMBL9690686

CC[C@@H](CS[C@@H](CCc1ccccc1C(C)(C)O)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C8 P10632 2/20 0.73
▸ CYSLTR2 Q9NS75 2/20 0.73
▸ CYSLTR1 Q9Y271 2/20 0.73
▸ MEN1 O00255 1/20 0.73
▸ RECQL P46063 1/20 0.73
▸ BLM P54132 1/20 0.73
▸ KMT2A Q03164 1/20 0.73
▸ ABCB11 O95342 1/20 0.73
▸ EGFR P00533 1/20 0.73
▸ ESR1 P03372 1/20 0.73
▸ NR3C1 P04150 1/20 0.73
▸ FYN P06241 1/20 0.73
▸ PGR P06401 1/20 0.73
▸ ADRB2 P07550 1/20 0.73
▸ ADRB1 P08588 1/20 0.73
▸ ADRA2A P08913 1/20 0.73
▸ ADORA3 P0DMS8 1/20 0.73
▸ CHRM1 P11229 1/20 0.73
▸ ADRB3 P13945 1/20 0.73
▸ ADRA2B P18089 1/20 0.73

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
SCHEMBL8499351 1.00 CYP2C8 (0.73) CYP2C8CYSLTR2CYSLTR1MEN1RECQL
SCHEMBL9689925 1.00 CYP2C8 (0.73) CYP2C8CYSLTR2CYSLTR1MEN1RECQL
SCHEMBL8497424 1.00 CYP2C8 (0.73) CYP2C8CYSLTR2CYSLTR1MEN1RECQL
SCHEMBL8496702 0.96 CYP2C8 (0.67) CYP2C8CYSLTR2CYSLTR1MEN1RECQL
L-695499 SCHEMBL8497597 0.95 CYP2C8 (0.72) CYP2C8CYSLTR2CYSLTR1MEN1RECQL
SCHEMBL8500061 0.93 CYP2C8 (0.74) CYP2C8CYSLTR2CYSLTR1MEN1RECQL
SCHEMBL8499866 0.93 CYP2C8 (0.74) CYP2C8CYSLTR2CYSLTR1MEN1RECQL
SCHEMBL9690994 0.92 CYSLTR1 (0.65) CYP2C8CYSLTR2CYSLTR1MEN1RECQL
SCHEMBL8497657 0.92 CYSLTR1 (0.71) CYP2C8CYSLTR2CYSLTR1MEN1RECQL
SCHEMBL9690071 0.91 CYSLTR1 (0.63) CYP2C8CYSLTR2CYSLTR1MEN1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0480717-A1 Unsaturated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1992-04-15 — — EP disclosed
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