SCHEMBL28487494

SCHEMBL28487494

O=C(O)CCCCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 13/20 0.50
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
MAPT P10636 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
ALDH1A1 P00352 1/20 0.47
PTGS2 P35354 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPK1 P28482 1/20 0.43
ADRA1A P35348 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL34262 1.00 KIF11 (0.50) KIF11HDAC3HDAC4HDAC1HDAC7
SCHEMBL3792783 1.00 KIF11 (0.50) KIF11HDAC3HDAC4HDAC1HDAC7
SCHEMBL27148055 1.00 KIF11 (0.50) KIF11HDAC3HDAC4HDAC1HDAC7
SCHEMBL28482917 1.00 KIF11 (0.50) KIF11HDAC3HDAC4HDAC1HDAC7
SCHEMBL18670133 1.00 KIF11 (0.50) KIF11HDAC3HDAC4HDAC1HDAC7
SCHEMBL2634426 1.00 KIF11 (0.50) KIF11HDAC3HDAC4HDAC1HDAC7
SCHEMBL15144366 1.00 KIF11 (0.50) KIF11HDAC3HDAC4HDAC1HDAC7
SCHEMBL3087541 0.98 KIF11 (0.52) KIF11HDAC3HDAC4HDAC1HDAC7
SCHEMBL329636 0.93 ALDH1A1 (0.55) KIF11HDAC3HDAC4HDAC1HDAC7
SCHEMBL23405872 0.90 KIF11 (0.50) KIF11

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