SCHEMBL27853079

SCHEMBL27853079

O=C(O)CN1CCC(c2cc(=O)[nH]o2)CC1Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 8/20 0.42
▸ CCR5 P51681 1/20 0.38
▸ KMT2A Q03164 1/20 0.36
▸ EGLN1 Q9GZT9 2/20 0.36
▸ GCGR P47871 1/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.35
▸ EGLN2 Q96KS0 1/20 0.35
▸ EGLN3 Q9H6Z9 1/20 0.35
▸ HTR2C P28335 1/20 0.35

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
SCHEMBL27853064 0.88 PLG (0.44) PLGCCR5EGLN1
SCHEMBL587177 0.87 PLG (0.43) PLGCCR5KMT2AEGLN1HRH3
SCHEMBL27852995 0.87 PLG (0.56) PLG
SCHEMBL27852916 0.86 PLG (0.55) PLG
SCHEMBL27965394 0.85 PLG (0.45) PLG
SCHEMBL581666 0.84 PLG (0.46) PLG
SCHEMBL27965499 0.83 PLG (0.45) PLG
SCHEMBL581900 0.83 PLG (0.41) PLGCCR5KMT2AEGLN1HRH3
SCHEMBL586984 0.83 PLG (0.41) PLGCCR5KMT2AEGLN1HRH3
SCHEMBL587616 0.83 PLG (0.41) PLGCCR5KMT2AEGLN1HRH3

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
CN-102459246-B Isoxazol-3 (2H) -one analogs as therapeutic agents ASTRAZENECA AB 2014-05-07 — — CN disclosed
CN-102459246-A Isoxazol-3 (2H) -one analogs as therapeutic agents ASTRAZENECA AB 2012-05-16 — — CN disclosed
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