SCHEMBL28636792

SCHEMBL28636792

O=C(O)CCCCCCCCCC(C(=O)O)N(CCO)CCO

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.47
FFAR4 Q5NUL3 2/20 0.47
GPR84 Q9NQS5 1/20 0.47
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
PMP22 Q01453 1/20 0.43
GSTK1 Q9Y2Q3 2/20 0.42
CAMK2A Q9UQM7 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM4C Q9H3R0 2/20 0.39
KDM4A O75164 1/20 0.39
PHF8 Q9UPP1 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
ENPEP Q07075 1/20 0.38

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
SCHEMBL21807140 0.89 FFAR4 (0.51) FFAR1FFAR4GPR84TSHRALDH1A1
SCHEMBL15049990 0.85 TET2 (0.41) CAMK2AKDM4CKDM4AKDM2A
SCHEMBL15049991 0.85 TET2 (0.41) CAMK2AKDM4CKDM4AKDM2A
SCHEMBL31414280 0.82 GPR84 (0.48) FFAR1FFAR4GPR84LMNA
SCHEMBL28054290 0.82 GPR84 (0.48) FFAR1FFAR4GPR84LMNA
SCHEMBL8412960 0.81 TDP1 (0.45) FFAR1FFAR4LMNATSHRNFKB1
SCHEMBL4689784 0.80 GSR (0.47) LMNANFKB1ALDH1A1
SCHEMBL4689786 0.80 GSR (0.47) LMNANFKB1ALDH1A1
SCHEMBL11344676 0.80 FFAR4 (0.50) FFAR1FFAR4GPR84LMNATSHR
SCHEMBL29937853 0.79 TSHR (0.52) FFAR1FFAR4GPR84LMNATSHR

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
WO-2024147317-A1 CLEANING COMPOSITION FOR METAL ARTICLES 花王株式会社 2024-07-11 WO disclosed
CN-113348268-A Detergent composition for metal articles, and method for washing metal articles using same 花王株式会社 2021-09-03 CN disclosed