SCHEMBL27839876

SCHEMBL27839876

CC(=O)ON1C(=O)C(=O)c2ccccc21.[Zn]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 7/20 0.56
▸ KDR P35968 1/20 0.51
▸ TTR P02766 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.44
▸ AGTR1 P30556 1/20 0.44
▸ BCHE P06276 2/20 0.43
▸ TGM2 P21980 1/20 0.43
▸ CTRB1 P17538 1/20 0.42
▸ CES2 O00748 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NOTUM Q6P988 1/20 0.40
▸ ALDH2 P05091 1/20 0.40
▸ ALDH3A1 P30838 1/20 0.40
▸ TRPA1 O75762 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL10800205 0.98 CES1 (0.57) CES1KDRTTRALDH1A1AGTR1
SCHEMBL13725997 0.84 CES1 (0.51) CES1TTRALDH1A1AGTR1BCHE
SCHEMBL25707085 0.83 CES1 (0.51) CES1KDRTTRALDH1A1AGTR1
SCHEMBL25707100 0.81 CES1 (0.50) CES1TTRALDH1A1AGTR1BCHE
SCHEMBL27703399 0.81 CES1 (0.56) CES1TTRALDH1A1AGTR1BCHE
SCHEMBL25706977 0.79 CES1 (0.46) CES1TTRALDH1A1AGTR1BCHE
SCHEMBL27723886 0.78 CES1 (0.58) CES1TTRALDH1A1AGTR1BCHE
SCHEMBL29838651 0.78 ALDH1A1 (0.47) CES1KDRALDH1A1GAAMEN1
SCHEMBL859822 0.78 ALDH1A1 (0.47) CES1KDRALDH1A1GAAMEN1
SCHEMBL25706970 0.78 CES1 (0.45) CES1TTRALDH1A1AGTR1BCHE

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-102177173-B Collagen peptide, dipeptide, and agent for prevention of disease NITTA GELATIN KK 2014-01-15 — — CN disclosed
CN-102177173-A Collagen peptide, dipeptide, and agent for prevention of disease NITTA GELATIN KK 2011-09-07 — — CN disclosed
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