SCHEMBL22833247

SCHEMBL22833247

CCOCCOC(COC(=O)c1ccccc1)OCC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 2/20 0.45
ADRB2 P07550 2/20 0.45
ADRB1 P08588 2/20 0.45
ADRB3 P13945 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
NPC1 O15118 2/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SLC1A5 Q15758 1/20 0.40

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
SCHEMBL714676 0.90 ALDH1A1 (0.61) LMNAALDH1A1TDP1ADRB2ADRB1
SCHEMBL22833094 0.87 LMNA (0.47) LMNAALDH1A1TDP1SMN1; SMN2KMT2A
SCHEMBL5433479 0.82 ALDH1A1 (0.56) LMNAALDH1A1TDP1ADRB2ADRB1
SCHEMBL1446745 0.82 KMT2A (0.57) LMNAALDH1A1TDP1ADRB2ADRB1
SCHEMBL16278307 0.82 LMNA (0.52) LMNATDP1SMN1; SMN2KMT2AMEN1
SCHEMBL2473943 0.80 LMNA (0.70) LMNAALDH1A1TDP1SMN1; SMN2KMT2A
SCHEMBL22832419 0.79 LMNA (0.68) LMNAALDH1A1TDP1SMN1; SMN2KMT2A
SCHEMBL6698832 0.79 LMNA (0.68) LMNAALDH1A1TDP1SMN1; SMN2KMT2A
SCHEMBL17798246 0.78 ALDH1A1 (0.47) LMNAALDH1A1TDP1SMN1; SMN2NPC1
SCHEMBL5663225 0.78 NHERF1 (0.48) LMNAALDH1A1KMT2AMEN1NPC1

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
EP-3990532-A1 GLYCOL ETHER ARYL ESTER PLASTICIZER Eastman Chemical Company (US) 2022-05-04 EP disclosed
WO-2020263593-A1 GLYCOL ETHER ARYL ESTER PLASTICIZER EASTMAN CHEMICAL COMPANY (US) 2020-12-30 WO disclosed