SCHEMBL28838752

SCHEMBL28838752

CCC(CC)C(=O)O.CCC(CC)C(=O)OCCOCCOCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
CA2 P00918 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
THRB P10828 2/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 5/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 1/20 0.35
CA1 P00915 1/20 0.34
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33

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
SCHEMBL3342127 0.93 MEN1 (0.46) MAPK1CA2MEN1KMT2ATHRB
SCHEMBL3339547 0.93 MEN1 (0.46) MAPK1CA2MEN1KMT2ATHRB
SCHEMBL3340411 0.93 MEN1 (0.46) MAPK1CA2MEN1KMT2ATHRB
Tetraethylene Glycol SCHEMBL28447638 0.91 CA2 (0.48) MAPK1CA2MEN1KMT2ATHRB
Triethylene Glycol SCHEMBL266618 0.91 CA2 (0.48) MAPK1CA2MEN1KMT2ATHRB
Triethylene Glycol SCHEMBL3792468 0.91 CA2 (0.48) MAPK1CA2MEN1KMT2ATHRB
Tetraethylene Glycol SCHEMBL417795 0.91 CA2 (0.48) MAPK1CA2MEN1KMT2ATHRB
SCHEMBL27174188 0.89 CA2 (0.47) MAPK1CA2TSHRSLC1A3SLC1A2
Di(Hydroxyethyl)Ether SCHEMBL420267 0.89 CA2 (0.50) MAPK1CA2MEN1KMT2ATHRB
Di(Hydroxyethyl)Ether SCHEMBL29249660 0.89 CA2 (0.50) MAPK1CA2MEN1KMT2ATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114901472-A Interlayers having improved graded bands 首诺公司 2022-08-12 CN disclosed