SCHEMBL28349092

SCHEMBL28349092

CCS(=O)(=O)c1ccc(Cc2c(C(N)=O)ccc(OC(C)C)c2C(N)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.41
IRAK4 Q9NWZ3 2/20 0.40
PSIP1 O75475 1/20 0.38
POLB P06746 1/20 0.36
PTGDR Q13258 1/20 0.36
MKNK1 Q9BUB5 2/20 0.35
MKNK2 Q9HBH9 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4A O75164 1/20 0.33
MAPT P10636 1/20 0.33
KDM4C Q9H3R0 1/20 0.33

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
SCHEMBL30531884 0.87 POLB (0.41) RORCPSIP1POLBMEN1KMT2A
SCHEMBL28352546 0.82 PSIP1 (0.39) RORCPSIP1MEN1KMT2ALMNA
SCHEMBL28349448 0.80 PSIP1 (0.42) RORCPSIP1MEN1KMT2AMAPT
SCHEMBL28352399 0.76 PSIP1 (0.53) RORCPSIP1
SCHEMBL2828915 0.67 S1PR3 (0.48) RORCIRAK4POLBMAPK1
SCHEMBL28349856 0.67 PSIP1 (0.44) RORCPSIP1
SCHEMBL28236908 0.66 RORC (0.53) RORC
SCHEMBL30531883 0.66 RORC (0.49) RORCIRAK4MEN1KMT2ALMNA
SCHEMBL3871603 0.66 IRAK4 (0.55) IRAK4POLBLMNA
SCHEMBL30474513 0.65 PSIP1 (0.42) RORCPSIP1POLBLMNAMAPK1

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-117024319-A Amide compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-11-10 CN disclosed
CN-110724075-B Amide compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-09-12 CN disclosed
CN-110724075-A Amide compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2020-01-24 CN disclosed