SCHEMBL21114903

SCHEMBL21114903

CC1(C(=O)O)CC(=O)C(C)(C(=O)O)CC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.39
MAPK1 P28482 2/20 0.31
TP53 P04637 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
THPO P40225 1/20 0.31
STAT6 P42226 1/20 0.31
HIF1A Q16665 1/20 0.31
NPC1 O15118 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
MTOR P42345 1/20 0.31
RAB9A P51151 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 2/20 0.31
ALOX15 P16050 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL25431983 0.97
SCHEMBL31647951 0.72
SCHEMBL21114902 0.72 SMN1; SMN2 (0.38) HIF1ALMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL20581854 0.70 KRAS (0.41) FFAR3POLBMAPTTSHR
SCHEMBL1399847 0.70 KRAS (0.41) FFAR3POLBMAPTTSHR
SCHEMBL3170 0.69 FFAR3 (0.37) FFAR3CYP2C19LMNAALDH1A1POLB
SCHEMBL22068717 0.69 FFAR3 (0.36) FFAR3ALDH1A1
SCHEMBL29100759 0.69 FFAR3 (0.42) FFAR3NFKB1CYP2C19LMNATSHR
SCHEMBL8078206 0.67 FFAR3 (0.36) FFAR3CYP2C19LMNAALDH1A1POLB
SCHEMBL11077421 0.67 FFAR3 (0.31) FFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312815-A1 SYNTHESIS OF POLYMERS FROM CYCLIC DIOLIDES COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2023-10-05 US disclosed
US-11629223-B2 Synthesis of polymers from cyclic diolides COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2023-04-18 US disclosed
US-20210206912-A1 SYNTHESIS OF POLYMERS FROM CYCLIC DIOLIDES COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2021-07-08 US disclosed
US-10954335-B2 Synthesis of crystalline polymers from cyclic diolides COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2021-03-23 US disclosed
US-20190211144-A1 SYNTHESIS OF CRYSTALLINE POLYMERS FROM CYCLIC DIOLIDES COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2019-07-11 US disclosed