SCHEMBL21741352

SCHEMBL21741352

C[S+]([O-])c1ccc(Oc2cc(F)cc(Cl)c2)c2c1C(O)CC2

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EPAS1 Q99814 17/20 0.68
▸ VEGFA P15692 5/20 0.63

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
SCHEMBL18688473 0.83 EPAS1 (0.71) EPAS1VEGFA
SCHEMBL18688474 0.83 EPAS1 (0.71) EPAS1VEGFA
SCHEMBL16556281 0.81 EPAS1 (1.00) EPAS1VEGFA
SCHEMBL21005070 0.81 EPAS1 (0.67) EPAS1VEGFA
SCHEMBL16560969 0.79 EPAS1 (1.00) EPAS1VEGFA
SCHEMBL17671198 0.79 EPAS1 (1.00) EPAS1VEGFA
SCHEMBL16555569 0.78 EPAS1 (0.80) EPAS1VEGFA
SCHEMBL30856902 0.78 EPAS1 (0.80) EPAS1VEGFA
SCHEMBL16555574 0.77 EPAS1 (1.00) EPAS1VEGFA
SCHEMBL20224235 0.77 EPAS1 (1.00) EPAS1VEGFA

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
EP-3417851-B1 ARYL ETHERS AND USES THEREOF PELOTON THERAPEUTICS INC (US) 2020-07-22 — — EP disclosed
EP-3417852-B1 ARYL ETHERS AND USES THEREOF PELOTON THERAPEUTICS INC (US) 2020-02-19 — — EP disclosed
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