SCHEMBL25029950

SCHEMBL25029950

CCOCCOCCC(=O)NCCOCCOCC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CES2 O00748 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PCNA P12004 1/20 0.38
▸ EPHX2 P34913 2/20 0.37
▸ GLP1R P43220 3/20 0.36
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA4 P22748 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CA14 Q9ULX7 2/20 0.36
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL23729785 0.91 SMN1; SMN2 (0.50) SMN1; SMN2CES2ALDH1A1TSHREPHX2
SCHEMBL13113388 0.90 CES2 (0.42) CES2ALDH1A1TSHRTHRBMEN1
SCHEMBL24483723 0.87 MEN1 (0.39) SMN1; SMN2CES2ALDH1A1TSHRMEN1
SCHEMBL14924288 0.87 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1TSHRTHRBMEN1
SCHEMBL72044 0.87 CES2 (0.42) CES2ALDH1A1TSHRTHRBMEN1
SCHEMBL12893042 0.87 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1TSHRTHRBMEN1
SCHEMBL12733551 0.87 ALDH1A1 (0.41) SMN1; SMN2CES2ALDH1A1TSHRTHRB
SCHEMBL11928874 0.87 ALDH1A1 (0.41) SMN1; SMN2CES2ALDH1A1TSHRTHRB
SCHEMBL26063048 0.84 TSHR (0.44) SMN1; SMN2CES2ALDH1A1TSHRMEN1
SCHEMBL24484088 0.84 CES2 (0.51) CES2TSHRGLP1R

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
WO-2023017483-A1 CYTOTOXICITY TARGETING CHIMERAS FOR CCR2-EXPRESSING CELLS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-02-16 — — WO disclosed
Send feedback