SCHEMBL28481248

SCHEMBL28481248

O=C(O)CCc1ccc(SC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 15/20 0.58
▸ KEAP1 Q14145 1/20 0.56
▸ FFAR4 Q5NUL3 6/20 0.50
▸ HDAC3 O15379 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ HDAC9 Q9UKV0 1/20 0.44
▸ HDAC5 Q9UQL6 1/20 0.44
▸ RXRA P19793 1/20 0.44
▸ RXRB P28702 1/20 0.44

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
SCHEMBL4349783 0.83 AKR1B1 (0.53) FFAR1RXRARXRBRXRGSRD5A2
SCHEMBL1697834 0.78 FFAR1 (0.68) FFAR1KEAP1FFAR4HDAC3MAPK1
SCHEMBL1274096 0.77 KIF11 (0.35) FFAR1FFAR4
SCHEMBL30311965 0.77 CA2 (0.46) —
SCHEMBL1274097 0.77 KIF11 (0.35) —
SCHEMBL8384151 0.76 FFAR1 (0.51) FFAR1KEAP1FFAR4HDAC1
SCHEMBL12394493 0.74 FFAR1 (1.00) FFAR1KEAP1FFAR4HDAC3MAPK1
Phenyl Propionic Acid SCHEMBL13618844 0.74 KEAP1 (1.00) FFAR1KEAP1FFAR4HDAC3MAPK1
Phenyl Propionic Acid SCHEMBL3419 0.74 KEAP1 (1.00) FFAR1KEAP1FFAR4HDAC3MAPK1
Phenyl Propionic Acid SCHEMBL29619843 0.74 KEAP1 (1.00) FFAR1KEAP1FFAR4HDAC3MAPK1

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-111793106-A Polypeptide helix conformation stabilizing method 安徽大学 2020-10-20 — — CN claimed
CN-111793106-A Polypeptide helix conformation stabilizing method 安徽大学 2020-10-20 — — CN disclosed
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