SCHEMBL21233409

SCHEMBL21233409

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.38
▸ SPHK1 Q9NYA1 8/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ SPHK2 Q9NRA0 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CIT O14578 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ HSD17B10 Q99714 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
SCHEMBL20739105 0.93 NPY4R (0.38) HTTSPHK1SPHK2
SCHEMBL7607468 0.93 NPY4R (0.38) HTTSPHK1SPHK2
SCHEMBL12944390 0.93 NPY4R (0.38) HTTSPHK1SPHK2
SCHEMBL20158427 0.93 NPY4R (0.38) HTTSPHK1SPHK2
SCHEMBL15692085 0.93 NPY4R (0.38) HTTSPHK1SPHK2
SCHEMBL84332 0.93 NPY4R (0.38) HTTSPHK1SPHK2
SCHEMBL22315797 0.93 NPY4R (0.38) HTTSPHK1SPHK2
SCHEMBL21566843 0.92 SIRT1 (0.41) SPHK1
Hydrochloric Acid SCHEMBL28466185 0.92 NPY4R (0.38) HTTSPHK1SPHK2
Hydrochloric Acid SCHEMBL28466191 0.92 NPY4R (0.38) HTTSPHK1SPHK2

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-3521314-A1 NEW ANTIBODY-DRUG CONJUGATES AND USE THEREOF IN TREATMENT Université François Rabelais (FR) 2019-08-07 — — EP disclosed
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