SCHEMBL28859892

SCHEMBL28859892

CCC/C=C\CCOC(=O)CCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
THRB P10828 1/20 0.46
CNR1 P21554 1/20 0.46
DGKA P23743 2/20 0.45
NR1I2 O75469 1/20 0.41
PGR P06401 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
PTGS2 P35354 1/20 0.41
PDE4D Q08499 1/20 0.41
FAAH O00519 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DNM1 Q05193 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
SCHEMBL309027 0.90 ADORA3 (0.51) MGLLALDH1A1MAPTTHRBCNR1
SCHEMBL3944018 0.90 ADORA3 (0.51) MGLLALDH1A1MAPTTHRBCNR1
SCHEMBL309026 0.90 ADORA3 (0.51) MGLLALDH1A1MAPTTHRBCNR1
SCHEMBL28859217 0.88 MGLL (0.57) MGLLALDH1A1MAPTTHRBCNR1
SCHEMBL29119190 0.86 DGKA (0.66) MGLLALDH1A1MAPTTHRBCNR1
SCHEMBL28859192 0.86 MGLL (0.64) MGLLALDH1A1MAPTTHRBCNR1
SCHEMBL31692788 0.85 ADORA3 (0.42) MGLLALDH1A1MAPTTHRBCNR1
Acetic Acid SCHEMBL31534018 0.85 ADORA3 (0.47) MGLLALDH1A1MAPTTHRBCNR1
SCHEMBL29255856 0.85 ADORA3 (0.60) MGLLALDH1A1MAPTTHRBCNR1
Butyric Acid SCHEMBL1866742 0.83 ALDH1A1 (0.50) MGLLALDH1A1MAPTTHRBCNR1

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-116887841-A Nanomaterials comprising ester-linked acetals 比姆医疗股份有限公司 2023-10-13 CN disclosed
CN-115175894-A Nano material 盖德治疗有限责任公司 2022-10-11 CN disclosed