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Sugi Predict / Compounds / SCHEMBL882001

SCHEMBL882001

SCHEMBL882001

CCOP(=O)(N[C@@H](C)C(=O)OC)Oc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 11/20 0.58
▸ NPSR1 Q6W5P4 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPK1 P28482 1/20 0.42

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
SCHEMBL16015972 0.91 BTN3A1 (0.56) BTN3A1NPSR1MEN1KMT2ALMNA
SCHEMBL24418862 0.89 BTN3A1 (0.59) BTN3A1NPSR1MEN1KMT2ACYP3A4
SCHEMBL27055343 0.89 BTN3A1 (0.59) BTN3A1NPSR1MEN1KMT2ACYP3A4
SCHEMBL16855780 0.89 BTN3A1 (0.59) BTN3A1NPSR1MEN1KMT2ACYP3A4
SCHEMBL18663363 0.89 BTN3A1 (0.47) BTN3A1NPSR1MEN1KMT2ACYP3A4
SCHEMBL18663365 0.89 BTN3A1 (0.47) BTN3A1NPSR1MEN1KMT2ACYP3A4
SCHEMBL23698790 0.88 BTN3A1 (0.55) BTN3A1NPSR1MEN1KMT2A
SCHEMBL23698789 0.88 BTN3A1 (0.55) BTN3A1NPSR1MEN1KMT2A
SCHEMBL16015978 0.87 BTN3A1 (0.60) BTN3A1NPSR1MEN1KMT2ALMNA
SCHEMBL16576300 0.87 BTN3A1 (0.53) BTN3A1NPSR1MEN1KMT2ALMNA

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
WO-2012040126-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-29 — — WO disclosed