SCHEMBL28741014

SCHEMBL28741014

O=C(OCC(O)CO)C(CCCCCCCCCCCCCC(O)CO)CC(O)CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
DUSP3 P51452 1/20 0.42
LMNA P02545 1/20 0.42
USP2 O75604 6/20 0.39
CYP3A4 P08684 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
DGKA P23743 1/20 0.37
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
FAAH O00519 4/20 0.33
PLA2G2C Q5R387 1/20 0.32
CPB2 Q96IY4 1/20 0.32
THRB P10828 1/20 0.31

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
SCHEMBL170853 0.89 KDM4E (0.58) MEN1KMT2AKDM4EDUSP3LMNA
SCHEMBL28211898 0.89 KDM4E (0.58) MEN1KMT2AKDM4EDUSP3LMNA
SCHEMBL3503245 0.87 LMNA (0.45) MEN1KMT2AKDM4EDUSP3LMNA
SCHEMBL27112640 0.87 KMT2A (0.56) MEN1KMT2AKDM4EDUSP3LMNA
SCHEMBL3503248 0.87 LMNA (0.45) MEN1KMT2AKDM4EDUSP3LMNA
SCHEMBL3501721 0.87 LMNA (0.45) MEN1KMT2AKDM4EDUSP3LMNA
SCHEMBL3502850 0.87 LMNA (0.45) MEN1KMT2AKDM4EDUSP3LMNA
SCHEMBL6387907 0.83 KDM4E (0.59) MEN1KMT2AKDM4EDUSP3LMNA
Octanoic Acid SCHEMBL21111031 0.81 MEN1 (0.57) MEN1KMT2AKDM4EDUSP3LMNA
SCHEMBL3277348 0.80 MEN1 (0.46) MEN1KMT2AKDM4EDUSP3LMNA

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-115052932-A Composition, method for preparing copolymer and end use of copolymer 美国陶氏有机硅公司 2022-09-13 CN disclosed
CN-108137820-B Cosmetic composition, cosmetic and external preparation for skin 陶氏东丽株式会社 2022-05-27 CN disclosed