SCHEMBL16847756

SCHEMBL16847756

CC(C)[C@H](N)C(=O)N[C@@H](CCCNN)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 12/20 0.40
▸ SPHK2 Q9NRA0 1/20 0.39
▸ FURIN P09958 2/20 0.37
▸ CIT O14578 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ KLKB1 P03952 1/20 0.36

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
SCHEMBL16392367 1.00 SPHK1 (0.40) SPHK1SPHK2FURINCITTAAR1
SCHEMBL15692085 0.89 NPY4R (0.38) SPHK1SPHK2FURIN
SCHEMBL12944390 0.89 NPY4R (0.38) SPHK1SPHK2FURIN
SCHEMBL7607468 0.89 NPY4R (0.38) SPHK1SPHK2FURIN
SCHEMBL20158427 0.89 NPY4R (0.38) SPHK1SPHK2FURIN
SCHEMBL84332 0.89 NPY4R (0.38) SPHK1SPHK2FURIN
SCHEMBL20966573 0.89 SPHK1 (0.41) SPHK1SPHK2FURINCITTAAR1
SCHEMBL20739105 0.89 NPY4R (0.38) SPHK1SPHK2FURIN
SCHEMBL22315797 0.89 NPY4R (0.38) SPHK1SPHK2FURIN
SCHEMBL16770343 0.89 SIRT1 (0.39) SPHK1SPHK2

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-2015095227-A2 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH, INC. (US) 2015-06-25 — — WO disclosed
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