SCHEMBL24613309

SCHEMBL24613309

COc1cc(-c2cccc(-c3cccc(-c4ccc(CNCCCC(=O)O)c(OC)c4)c3C)c2C)ccc1CNCCCC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 19/20 0.64
▸ PDCD1 Q15116 16/20 0.64
▸ S1PR4 O95977 1/20 0.49

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
SCHEMBL24613700 0.94 CD274 (0.57) CD274PDCD1S1PR4
SCHEMBL24613304 0.91 CD274 (0.64) CD274PDCD1
SCHEMBL22867300 0.84 CD274 (0.74) CD274PDCD1
SCHEMBL23948831 0.83 CD274 (0.83) CD274PDCD1
SCHEMBL29964955 0.82 CD274 (0.60) CD274
SCHEMBL22820882 0.82 CD274 (0.60) CD274
SCHEMBL23949384 0.81 CD274 (0.74) CD274PDCD1
SCHEMBL29724510 0.81 CD274 (0.74) CD274PDCD1
SCHEMBL22866949 0.79 CD274 (0.59) CD274PDCD1
SCHEMBL24613260 0.77 CD274 (0.59) CD274PDCD1

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-4026835-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2022-07-13 — — EP disclosed
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