SCHEMBL20344790

SCHEMBL20344790

Cc1ccccc1-c1cccc(-c2cn3cc(C)c(C(COC(C)(C)C)C(=O)O)c(-c4cc(F)c5c(c4C)CCCO5)c3n2)c1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.48
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31

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
SCHEMBL17029014 0.90 NR1I2 (0.58) NR1I2
SCHEMBL17039307 0.90 NR1I2 (0.58) NR1I2
SCHEMBL17029023 0.86 NR1I2 (0.58) NR1I2
SCHEMBL17039277 0.82 NR1I2 (0.42) NR1I2PDCD1CD274
SCHEMBL17029035 0.82 NR1I2 (0.51) NR1I2
SCHEMBL17029052 0.82 NR1I2 (0.57) NR1I2
SCHEMBL20344784 0.82 NR1I2 (0.57) NR1I2
SCHEMBL17029032 0.81 NR1I2 (0.57) NR1I2
SCHEMBL17029021 0.78 NR1I2 (0.45) NR1I2PDCD1CD274
SCHEMBL17029012 0.78 NR1I2 (0.49) NR1I2

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-3107913-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2018-07-04 EP disclosed