SCHEMBL28697127

SCHEMBL28697127

NC(=O)NOC(=O)CCCCCCCC(=O)ONC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
LMNA P02545 4/20 0.38
ALDH1A1 P00352 1/20 0.38
DGKA P23743 1/20 0.37
CNR2 P34972 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
PAM P19021 2/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
NFKB1 P19838 1/20 0.33
PMP22 Q01453 1/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL27500866 1.00 TSHR (0.40) TSHRLMNAALDH1A1DGKACNR2
SCHEMBL2875090 0.92 TSHR (0.48) TSHRLMNAALDH1A1CNR2NFKB1
SCHEMBL825469 0.89 DGKA (0.53) TSHRLMNAALDH1A1DGKACNR2
SCHEMBL28133365 0.89 DGKA (0.53) TSHRLMNAALDH1A1DGKACNR2
SCHEMBL1179755 0.89 DGKA (0.53) TSHRLMNAALDH1A1DGKACNR2
SCHEMBL9273172 0.89 DGKA (0.53) TSHRLMNAALDH1A1DGKACNR2
SCHEMBL1180260 0.89 DGKA (0.53) TSHRLMNAALDH1A1DGKACNR2
SCHEMBL27838257 0.88 DGKA (0.52) TSHRLMNAALDH1A1DGKACNR2
SCHEMBL20898404 0.87 TSHR (0.43) TSHRLMNAALDH1A1NFKB1PMP22
SCHEMBL11254862 0.87 DGKA (0.50) TSHRLMNADGKACNR2PAM

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-101129305-A Water-soluble fibroin face pack for beauty treatment UNIV ZHEJIANG (CN) 2008-02-27 CN claimed
CN-113813224-A Novel azelaic acid gel and preparation method thereof 周丽娟 2021-12-21 CN disclosed
CN-101129305-A Water-soluble fibroin face pack for beauty treatment UNIV ZHEJIANG (CN) 2008-02-27 CN disclosed