SCHEMBL28575423

SCHEMBL28575423

COc1ccc(NS(=O)(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.65
PLAU P00749 2/20 0.63
LMNA P02545 1/20 0.62
GAA P10253 1/20 0.62
MAPK1 P28482 1/20 0.62
TP53 P04637 1/20 0.62
ALDH1A1 P00352 1/20 0.58
PGR P06401 1/20 0.58
GSK3B P49841 1/20 0.57
HDAC1 Q13547 3/20 0.57
HDAC8 Q9BY41 3/20 0.57
HDAC3 O15379 2/20 0.57
HDAC4 P56524 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
HDAC9 Q9UKV0 2/20 0.57
HDAC5 Q9UQL6 2/20 0.57

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
SCHEMBL26530291 0.96 GAA (0.68) KIF11LMNAGAAMAPK1TP53
SCHEMBL28913958 0.93 KIF11 (0.69) KIF11MAPK1TP53ALDH1A1GSK3B
SCHEMBL32679643 0.88 GAA (0.78) PLAULMNAGAAMAPK1ALDH1A1
SCHEMBL28570098 0.87 KIF11 (0.62) KIF11MAPK1TP53ALDH1A1GSK3B
SCHEMBL30292409 0.86 LMNA (0.63) KIF11PLAULMNAMAPK1TP53
SCHEMBL28575508 0.86 LMNA (0.63) KIF11PLAULMNAMAPK1TP53
SCHEMBL26536730 0.84 FFAR4 (0.60) LMNAGAAMAPK1HDAC1HDAC8
SCHEMBL6756075 0.84 FFAR4 (0.68) KIF11TP53ALDH1A1HDAC1HDAC8
SCHEMBL14601690 0.84 FFAR4 (0.68) KIF11TP53ALDH1A1HDAC1HDAC8
SCHEMBL28572870 0.84 PGR (0.67) KIF11LMNAMAPK1TP53PGR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112876388-A GPR120 agonist and preparation method and application thereof 山东大学 2021-06-01 CN claimed
CN-112876388-B GPR120 agonist and preparation method and application thereof 山东大学 2023-03-31 CN disclosed
CN-112876388-A GPR120 agonist and preparation method and application thereof 山东大学 2021-06-01 CN disclosed