SCHEMBL9690891

SCHEMBL9690891

C[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
▸ MEN1 O00255 1/20 0.75
▸ RECQL P46063 1/20 0.75
▸ BLM P54132 1/20 0.75
▸ KMT2A Q03164 1/20 0.75
▸ ABCB11 O95342 1/20 0.75
▸ EGFR P00533 1/20 0.75
▸ ESR1 P03372 1/20 0.75
▸ NR3C1 P04150 1/20 0.75
▸ FYN P06241 1/20 0.75
▸ PGR P06401 1/20 0.75
▸ ADRB2 P07550 1/20 0.75
▸ ADRB1 P08588 1/20 0.75
▸ ADRA2A P08913 1/20 0.75
▸ ADORA3 P0DMS8 1/20 0.75
▸ CYP2C8 P10632 1/20 0.75
▸ CHRM1 P11229 1/20 0.75
▸ ADRB3 P13945 1/20 0.75
▸ ADRA2B P18089 1/20 0.75
▸ ADRA2C P18825 1/20 0.75
▸ CHRM3 P20309 1/20 0.75

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
SCHEMBL9689095 1.00 MEN1 (0.75) MEN1RECQLBLMKMT2AABCB11
SCHEMBL9691021 1.00 MEN1 (0.75) MEN1RECQLBLMKMT2AABCB11
SCHEMBL9690557 0.93 CYP2C8 (0.74) MEN1RECQLBLMKMT2AABCB11
SCHEMBL8497830 0.93 CYP2C8 (0.74) MEN1RECQLBLMKMT2AABCB11
SCHEMBL8497511 0.93 CYP2C8 (0.76) MEN1RECQLBLMKMT2AABCB11
SCHEMBL8497734 0.93 CYP2C8 (0.76) MEN1RECQLBLMKMT2AABCB11
SCHEMBL8498781 0.93 CYP2C8 (0.76) MEN1RECQLBLMKMT2AABCB11
SCHEMBL8497471 0.93 CYP2C8 (0.76) MEN1RECQLBLMKMT2AABCB11
SCHEMBL8500751 0.92 CYP2C8 (0.70) MEN1RECQLBLMKMT2AABCB11
SCHEMBL8499865 0.91 CYSLTR1 (0.75) MEN1RECQLBLMKMT2AABCB11

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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