SCHEMBL25848418

SCHEMBL25848418

O=C(COc1ccc(C(=O)C2(O)CCCCC2)c(OCC(=O)N(CCO)CCO)c1)N(CCO)CCO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
PDK2 Q15119 2/20 0.46
MC4R P32245 1/20 0.37
MC5R P33032 1/20 0.37
MC3R P41968 1/20 0.37
TRPM8 Q7Z2W7 3/20 0.36
THRB P10828 1/20 0.34
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
TDP1 Q9NUW8 1/20 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
SCHEMBL25828191 0.74 POLB (0.52) POLBPDK2TRPM8KDM4EALDH1A1
SCHEMBL25828116 0.74 POLB (0.61) POLBPDK2TRPM8KDM4EALDH1A1
SCHEMBL25829502 0.69 POLB (0.61) POLBPDK2KDM4EALDH1A1HPGD
SCHEMBL25828194 0.69 POLB (0.44) POLBPDK2TRPM8KDM4EALDH1A1
SCHEMBL25828192 0.68 POLB (0.44) POLBPDK2TRPM8THRBKDM4E
SCHEMBL3974791 0.63 GAA (0.50) ALDH1A1HPGDSMN1; SMN2GAAMEN1
SCHEMBL25829543 0.63 POLB (0.65) POLBPDK2KDM4EALDH1A1HPGD
SCHEMBL2386648 0.62 POLB (0.64) POLBPDK2TRPM8THRBKDM4E
SCHEMBL22221533 0.61 POLB (0.62) POLBPDK2TRPM8KDM4EALDH1A1
SCHEMBL14477306 0.60 JAK2 (0.47) ALDH1A1HPGDGAARAB9AMEN1

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
EP-4206183-A1 POLYHYDROXYLATED PHOTOINITIATORS ARKEMA FRANCE (FR) 2023-07-05 EP disclosed