SCHEMBL26295243

SCHEMBL26295243

C=CCC(CC=C)CC(C(=O)OCC)C(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.36
MAPK1 P28482 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
ALDH1A1 P00352 6/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
MMP8 P22894 1/20 0.32
GRIK1 P39086 2/20 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
SCHEMBL793641 0.84 ALDH1A1 (0.40) L3MBTL1MAPK1HCAR2ALDH1A1NPSR1
SCHEMBL28385153 0.82 TSHR (0.38) ALDH1A1HSD17B10TSHRMEN1KMT2A
SCHEMBL25407269 0.80 TSHR (0.38) L3MBTL1MAPK1HCAR2ALDH1A1NPSR1
SCHEMBL1564401 0.80 CPA1 (0.40) L3MBTL1MAPK1HCAR2ALDH1A1NPSR1
Butane SCHEMBL18797012 0.80 TSHR (0.39) L3MBTL1MAPK1HCAR2ALDH1A1NPSR1
SCHEMBL3607061 0.78 ALDH1A1 (0.39) L3MBTL1MAPK1HCAR2ALDH1A1NPSR1
SCHEMBL1010641 0.77 ALDH1A1 (0.42) HCAR2ALDH1A1LMNASMN1; SMN2HSD17B10
SCHEMBL27863535 0.77 TSHR (0.44) L3MBTL1MAPK1ALDH1A1NPSR1LMNA
SCHEMBL19284346 0.77 SOAT1 (0.37) L3MBTL1MAPK1HCAR2ALDH1A1NPSR1
SCHEMBL4613459 0.76 ALDH1A1 (0.50) HCAR2ALDH1A1LMNAHSD17B10MEN1

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-118922471-A Compounds for coating nanostructures 斯帕果纳米医学有限公司 2024-11-08 CN disclosed
WO-2023172185-A1 COMPOUNDS FOR COATING OF NANOSTRUCTURES SPAGO NANOMEDICAL AB (SE) 2023-09-14 WO disclosed
EP-4242250-A1 COMPOUNDS FOR COATING OF NANOSTRUCTURES Spago Nanomedical AB (SE) 2023-09-13 EP disclosed