SCHEMBL28110893

SCHEMBL28110893

CC(C)[C@H](N)C(=O)NCC(=O)Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC1A3 P43003 1/20 0.42
▸ FURIN P09958 5/20 0.41
▸ TARS1 P26639 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ GPR88 Q9GZN0 1/20 0.40
▸ MTNR1A P48039 1/20 0.40
▸ MTNR1B P49286 1/20 0.40
▸ METAP2 P50579 2/20 0.39
▸ METAP1 P53582 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SLC15A1 P46059 1/20 0.39

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
SCHEMBL27668472 0.88 LTA4H (0.45) SLC1A3FURINNPC1RAB9AMTNR1A
SCHEMBL28111448 0.83 KIF11 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4652807 0.80 HPGD (0.42) ATML3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL27315409 0.79 LTA4H (0.47) SLC1A3SMN1; SMN2
SCHEMBL9879892 0.78 OPRK1 (0.38) —
SCHEMBL28139029 0.78 CTSS (0.45) FURIN
SCHEMBL12310853 0.77 MTNR1A (0.60) L3MBTL1NPC1RAB9AMTNR1AMTNR1B
SCHEMBL27695610 0.76 PRSS1 (0.46) SLC1A3ATML3MBTL1MTNR1AMTNR1B
SCHEMBL10071376 0.76 MTNR1A (0.54) L3MBTL1MTNR1AMTNR1BALDH1A1
SCHEMBL19319010 0.76 TET2 (0.45) ALDH1A1

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
CN-106243472-A A kind of nanometer titanium dioxide antibiotic film and preparation method thereof 江阴市德惠热收缩包装材料有限公司 2016-12-21 — — CN disclosed
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