SCHEMBL8618495

SCHEMBL8618495

CCCCOC(=O)N[C@@H](CCCC)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 3/20 0.38
▸ ITGB3 P05106 4/20 0.37
▸ ITGA2B P08514 4/20 0.37
▸ HRH3 Q9Y5N1 3/20 0.37
▸ TAS1R3 Q7RTX0 3/20 0.37
▸ TAS1R1 Q7RTX1 3/20 0.37
▸ HRH4 Q9H3N8 2/20 0.37
▸ CTSL P07711 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ACE P12821 1/20 0.36
▸ ACE2 Q9BYF1 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NFKB1 P19838 1/20 0.35

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
SCHEMBL5874939 0.92 TLR2 (0.40) ITGB3ITGA2BHRH3
SCHEMBL11567871 0.89 L3MBTL1 (0.37) ITGB3ITGA2BHRH3HRH4HPGD
SCHEMBL5880046 0.89 TAS1R3 (0.39) CTSKTAS1R3TAS1R1SMN1; SMN2NPC1
SCHEMBL29973774 0.87 TAS1R3 (0.39) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL5492142 0.85 TAS1R3 (0.39) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL8617019 0.85 CTSK (0.52) CTSKCTSLCTSS
SCHEMBL7320186 0.84 SMN1; SMN2 (0.40) HRH3HRH4SMN1; SMN2NPC1RAB9A
SCHEMBL30804479 0.84 TAS1R3 (0.40) TAS1R3TAS1R1L3MBTL1KMT2A
SCHEMBL11199811 0.83 ACE (0.52) CTSKITGB3ITGA2BCTSLCTSS
SCHEMBL11285763 0.83 CTSL (0.59) CTSKCTSLCTSS

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-0838471-A1 PEPTIDE DERIVATIVES AND ANGIOTENSIN IV RECEPTOR AGONIST SAGAMI CHEMICAL RESEARCH CENTER (JP) 1998-04-29 — — EP disclosed
Send feedback